2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid

C10H18N2O4 — CID 7009642

IUPAC2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(2)4-8(12-7(3)13)10(16)11-5-9(14)15/h6,8H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyQWUFVYSSHGGOCQ-QMMMGPOBSA-N
MW230.26 g/mol
LogP-0.26
Rot. Bonds6

About 2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid

2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid (PubChem CID 7009642) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid
PubChem CID7009642
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-6(2)4-8(12-7(3)13)10(16)11-5-9(14)15/h6,8H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyQWUFVYSSHGGOCQ-QMMMGPOBSA-N
XLogP-0.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 71463173
2-[2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetyl]oxyacetic acid
CID 71454254
2-[[(2S)-2,4-dimethylpentanoyl]amino]acetic acid
CID 134236014
2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetic acid
CID 145457797
[1-[[2-[(2-acetamido-4-methylpentanoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid
CID 142234996
2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid
CID 11394267
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
2-[[2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 22336890
2-[[(2S)-4-methyl-2-(undecanoylamino)pentanoyl]amino]acetic acid
CID 101117017
sodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide
CID 172768548
2-[[(2S)-2-(6-aminohexanoylamino)-4-methylpentanoyl]amino]acetic acid
CID 89183168
2-[[4-amino-2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 18236598

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid (CID 7009642) is 2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid is CC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid?
The InChIKey is QWUFVYSSHGGOCQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6(2)4-8(12-7(3)13)10(16)11-5-9(14)15/h6,8H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of 2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid?
2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid is sourced from PubChem (CID 7009642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).