5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid

C17H31N5O7 — CID 18294531

IUPAC5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid
SMILESCCC(C)C(N)C(=O)NCC(=O)NC(C(=O)NC(CCC(N)=O)C(=O)O)C(C)O
InChIInChI=1S/C17H31N5O7/c1-4-8(2)13(19)15(26)20-7-12(25)22-14(9(3)23)16(27)21-10(17(28)29)5-6-11(18)24/h8-10,13-14,23H,4-7,19H2,1-3H3,(H2,18,24)(H,20,26)(H,21,27)(H,22,25)(H,28,29)
InChIKeyUDOUEOKGFDZGFF-UHFFFAOYSA-N
MW417.46 g/mol
LogP-2.82
Rot. Bonds13

About 5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid

5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid (PubChem CID 18294531) has the molecular formula C17H31N5O7 and a molecular weight of 417.46 g/mol. Its IUPAC name is 5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid
PubChem CID18294531
Molecular FormulaC17H31N5O7
Molecular Weight417.46 g/mol
Exact Mass417.22
IUPAC Name5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid
SMILESCCC(C)C(N)C(=O)NCC(=O)NC(C(=O)NC(CCC(N)=O)C(=O)O)C(C)O
InChIInChI=1S/C17H31N5O7/c1-4-8(2)13(19)15(26)20-7-12(25)22-14(9(3)23)16(27)21-10(17(28)29)5-6-11(18)24/h8-10,13-14,23H,4-7,19H2,1-3H3,(H2,18,24)(H,20,26)(H,21,27)(H,22,25)(H,28,29)
InChIKeyUDOUEOKGFDZGFF-UHFFFAOYSA-N
XLogP-2.82
TPSA213.94 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 5-2.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-5-amino-2-[[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 145456145
2-[[5-amino-2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoic acid
CID 18294343
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid
CID 18294528
5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
CID 18298102
2-[[2-[[5-amino-2-[(2-amino-3-methylpentanoyl)amino]-5-oxopentanoyl]amino]acetyl]amino]pentanedioic acid
CID 18293954
(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid
CID 11169923
2-[[5-amino-2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid
CID 18297925
2-[[2-[[5-amino-2-[(2-amino-3-methylpentanoyl)amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid
CID 18294138
2-[[5-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid
CID 18748021
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 18294601
5-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
CID 18747938
5-amino-2-[[2-[[5-amino-2-[(2-amino-3-methylpentanoyl)amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18294194

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid (CID 18294531) is 5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid is CCC(C)C(N)C(=O)NCC(=O)NC(C(=O)NC(CCC(N)=O)C(=O)O)C(C)O.
What is the InChIKey of 5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid?
The InChIKey is UDOUEOKGFDZGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O7/c1-4-8(2)13(19)15(26)20-7-12(25)22-14(9(3)23)16(27)21-10(17(28)29)5-6-11(18)24/h8-10,13-14,23H,4-7,19H2,1-3H3,(H2,18,24)(H,20,26)(H,21,27)(H,22,25)(H,28,29).
What are the key properties of 5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid?
5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid has a molecular weight of 417.46 g/mol, XLogP of -2.82, 13 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 18294531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).