2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid

C9H17N3O4 — CID 11665805

IUPAC2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid
SMILESCC(C)[C@H](NC(=O)CN)C(=O)NCC(=O)O
InChIInChI=1S/C9H17N3O4/c1-5(2)8(12-6(13)3-10)9(16)11-4-7(14)15/h5,8H,3-4,10H2,1-2H3,(H,11,16)(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyRYAOJUMWLWUGNW-QMMMGPOBSA-N
MW231.25 g/mol
LogP-1.71
Rot. Bonds6

About 2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid

2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid (PubChem CID 11665805) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid
PubChem CID11665805
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid
SMILESCC(C)[C@H](NC(=O)CN)C(=O)NCC(=O)O
InChIInChI=1S/C9H17N3O4/c1-5(2)8(12-6(13)3-10)9(16)11-4-7(14)15/h5,8H,3-4,10H2,1-2H3,(H,11,16)(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyRYAOJUMWLWUGNW-QMMMGPOBSA-N
XLogP-1.71
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid (CID 11665805) is 2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid is CC(C)[C@H](NC(=O)CN)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid?
The InChIKey is RYAOJUMWLWUGNW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-5(2)8(12-6(13)3-10)9(16)11-4-7(14)15/h5,8H,3-4,10H2,1-2H3,(H,11,16)(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of 2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid?
2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid has a molecular weight of 231.25 g/mol, XLogP of -1.71, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]acetic acid is sourced from PubChem (CID 11665805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).