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

C7H14N2O3 — CID 6993111

IUPAC2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
SMILESCC(C)[C@H](N)C(=O)NCC(=O)O
InChIInChI=1S/C7H14N2O3/c1-4(2)6(8)7(12)9-3-5(10)11/h4,6H,3,8H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1
InChIKeyIOUPEELXVYPCPG-LURJTMIESA-N
MW174.20 g/mol
LogP-0.83
Rot. Bonds4

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

2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid (PubChem CID 6993111) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
PubChem CID6993111
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
SMILESCC(C)[C@H](N)C(=O)NCC(=O)O
InChIInChI=1S/C7H14N2O3/c1-4(2)6(8)7(12)9-3-5(10)11/h4,6H,3,8H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1
InChIKeyIOUPEELXVYPCPG-LURJTMIESA-N
XLogP-0.83
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
2-[[(3S)-2,3-diaminobutanoyl]amino]acetic acid;2-methylpropane
CID 143300236
(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 104940094
2-amino-N-(3,4-diamino-2,4-dioxobutyl)-3-methylbutanamide
CID 174452502
2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide
CID 115734359
2-amino-N-(cyanomethyl)-3-methylbutanamide
CID 61253488
2-[[6-amino-2-[(2-amino-3-methylbutanoyl)amino]hexanoyl]amino]acetic acid
CID 18232429
2-[[2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 22336890
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
2-[[(2R)-2,3-dimethylbutanoyl]amino]acetic acid;sulfane
CID 161158592
3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-ethylamino]propanoic acid
CID 82962276

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid (CID 6993111) is 2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid is CC(C)[C@H](N)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid?
The InChIKey is IOUPEELXVYPCPG-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(2)6(8)7(12)9-3-5(10)11/h4,6H,3,8H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid?
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid has a molecular weight of 174.20 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid is sourced from PubChem (CID 6993111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).