2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid

C7H14N2O4 — CID 107570675

IUPAC2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid
SMILESCCC[C@H](N)C(=O)NOCC(=O)O
InChIInChI=1S/C7H14N2O4/c1-2-3-5(8)7(12)9-13-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)/t5-/m0/s1
InChIKeyHDSDQBDUGNGREX-YFKPBYRVSA-N
MW190.20 g/mol
LogP-0.75
Rot. Bonds6

About 2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid

2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid (PubChem CID 107570675) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid
PubChem CID107570675
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid
SMILESCCC[C@H](N)C(=O)NOCC(=O)O
InChIInChI=1S/C7H14N2O4/c1-2-3-5(8)7(12)9-13-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)/t5-/m0/s1
InChIKeyHDSDQBDUGNGREX-YFKPBYRVSA-N
XLogP-0.75
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-Aminopropanoylamino)oxyacetic acid
CID 45122521
2-[[(2S)-2-aminopropanoyl]amino]oxyacetic acid
CID 76850689
2-[[(2S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid
CID 104867442
2-[[(2R)-2-aminobutanoyl]amino]oxyacetic acid
CID 104867444
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid
CID 104867446
2-[[(2S)-2-aminobutanoyl]amino]oxyacetic acid
CID 104867447
2-[[(2R)-2-aminopropanoyl]amino]oxyacetic acid
CID 104867448
2-[[(2S)-2-amino-3-methylbutanoyl]amino]oxyacetic acid
CID 104867450
2-[[(2S)-2-amino-4-methylpentanoyl]amino]oxyacetic acid
CID 104867452
2-[[(2R)-2-amino-3-methylbutanoyl]amino]oxyacetic acid
CID 104867458
2-[[(2R)-2-amino-4-methylpentanoyl]amino]oxyacetic acid
CID 104904042
2-[[(2S)-2-aminohexanoyl]amino]oxyacetic acid
CID 107146593

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid?
The IUPAC name of 2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid (CID 107570675) is 2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid is CCC[C@H](N)C(=O)NOCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid?
The InChIKey is HDSDQBDUGNGREX-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-2-3-5(8)7(12)9-13-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)/t5-/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid?
2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid has a molecular weight of 190.20 g/mol, XLogP of -0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopentanoyl]amino]oxyacetic acid is sourced from PubChem (CID 107570675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).