2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid

C14H25N5O6 — CID 22655078

IUPAC2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid
SMILESCC(C)CC(NC(=O)CNC(=O)C(N)CC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C14H25N5O6/c1-7(2)3-9(14(25)18-6-12(22)23)19-11(21)5-17-13(24)8(15)4-10(16)20/h7-9H,3-6,15H2,1-2H3,(H2,16,20)(H,17,24)(H,18,25)(H,19,21)(H,22,23)
InChIKeyDSPKORMBZHMTJB-UHFFFAOYSA-N
MW359.38 g/mol
LogP-2.96
Rot. Bonds11

About 2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid

2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid (PubChem CID 22655078) has the molecular formula C14H25N5O6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid
PubChem CID22655078
Molecular FormulaC14H25N5O6
Molecular Weight359.38 g/mol
Exact Mass359.18
IUPAC Name2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid
SMILESCC(C)CC(NC(=O)CNC(=O)C(N)CC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C14H25N5O6/c1-7(2)3-9(14(25)18-6-12(22)23)19-11(21)5-17-13(24)8(15)4-10(16)20/h7-9H,3-6,15H2,1-2H3,(H2,16,20)(H,17,24)(H,18,25)(H,19,21)(H,22,23)
InChIKeyDSPKORMBZHMTJB-UHFFFAOYSA-N
XLogP-2.96
TPSA193.71 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.38
LogP ≤ 5-2.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[(2S)-4-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 145456357
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]butanedioic acid
CID 22705426
(2S)-2-[[2-[[(2S)-6-amino-2-[[2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 10184734
2-[[4-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 18235414
2-amino-N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-4-methylpentanamide
CID 71336548
2-[[4-amino-2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 18236598
2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid
CID 11394267
2-[[6-amino-2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]hexanoyl]amino]acetic acid
CID 22655098
(2S)-4-amino-2-[[(2S)-2-[[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
CID 175817864
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid
CID 22655237
4-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-4-oxobutanoic acid
CID 18488822
4-amino-2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
CID 18479761

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid (CID 22655078) is 2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid is CC(C)CC(NC(=O)CNC(=O)C(N)CC(N)=O)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid?
The InChIKey is DSPKORMBZHMTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O6/c1-7(2)3-9(14(25)18-6-12(22)23)19-11(21)5-17-13(24)8(15)4-10(16)20/h7-9H,3-6,15H2,1-2H3,(H2,16,20)(H,17,24)(H,18,25)(H,19,21)(H,22,23).
What are the key properties of 2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid?
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid has a molecular weight of 359.38 g/mol, XLogP of -2.96, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid is sourced from PubChem (CID 22655078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).