2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid

C15H27N5O7 — CID 19941702

IUPAC2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid
SMILESCC(C)C(NC(=O)C(N)C(C)O)C(=O)NC(CC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C15H27N5O7/c1-6(2)12(20-14(26)11(17)7(3)21)15(27)19-8(4-9(16)22)13(25)18-5-10(23)24/h6-8,11-12,21H,4-5,17H2,1-3H3,(H2,16,22)(H,18,25)(H,19,27)(H,20,26)(H,23,24)
InChIKeyIOJUFYHXKBWLJT-UHFFFAOYSA-N
MW389.41 g/mol
LogP-3.60
Rot. Bonds11

About 2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid

2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid (PubChem CID 19941702) has the molecular formula C15H27N5O7 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid
PubChem CID19941702
Molecular FormulaC15H27N5O7
Molecular Weight389.41 g/mol
Exact Mass389.19
IUPAC Name2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid
SMILESCC(C)C(NC(=O)C(N)C(C)O)C(=O)NC(CC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C15H27N5O7/c1-6(2)12(20-14(26)11(17)7(3)21)15(27)19-8(4-9(16)22)13(25)18-5-10(23)24/h6-8,11-12,21H,4-5,17H2,1-3H3,(H2,16,22)(H,18,25)(H,19,27)(H,20,26)(H,23,24)
InChIKeyIOJUFYHXKBWLJT-UHFFFAOYSA-N
XLogP-3.60
TPSA213.94 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 5-3.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-4-oxobutanoyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid
CID 18745962
2-[[4-amino-2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]acetic acid
CID 18745144
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]acetic acid
CID 19941959
2-[[4-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 18744744
2-[[4-amino-2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 18262114
2-[[4-amino-2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 22658506
2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 19940516
2-[[2-[[4-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoic acid
CID 18746278
2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 18749934
2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid
CID 175718885
2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetic acid
CID 18218293
3-[[4-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-4-oxobutanoyl]amino]-4-[(1-carboxy-2-hydroxypropyl)amino]-4-oxobutanoic acid
CID 18745971

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid?
The IUPAC name of 2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid (CID 19941702) is 2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid is CC(C)C(NC(=O)C(N)C(C)O)C(=O)NC(CC(N)=O)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid?
The InChIKey is IOJUFYHXKBWLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O7/c1-6(2)12(20-14(26)11(17)7(3)21)15(27)19-8(4-9(16)22)13(25)18-5-10(23)24/h6-8,11-12,21H,4-5,17H2,1-3H3,(H2,16,22)(H,18,25)(H,19,27)(H,20,26)(H,23,24).
What are the key properties of 2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid?
2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid has a molecular weight of 389.41 g/mol, XLogP of -3.60, 11 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetic acid is sourced from PubChem (CID 19941702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).