2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid

C8H16N2O4 — CID 104867446

IUPAC2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NOCC(=O)O
InChIInChI=1S/C8H16N2O4/c1-3-5(2)7(9)8(13)10-14-4-6(11)12/h5,7H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)/t5-,7-/m0/s1
InChIKeyFJEIYNFOSIOOGI-FSPLSTOPSA-N
MW204.23 g/mol
LogP-0.51
Rot. Bonds6

About 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid

2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid (PubChem CID 104867446) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid
PubChem CID104867446
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid
SMILESCC[C@H](C)[C@H](N)C(=O)NOCC(=O)O
InChIInChI=1S/C8H16N2O4/c1-3-5(2)7(9)8(13)10-14-4-6(11)12/h5,7H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)/t5-,7-/m0/s1
InChIKeyFJEIYNFOSIOOGI-FSPLSTOPSA-N
XLogP-0.51
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.51
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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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid?
The IUPAC name of 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid (CID 104867446) is 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid is CC[C@H](C)[C@H](N)C(=O)NOCC(=O)O.
What is the InChIKey of 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid?
The InChIKey is FJEIYNFOSIOOGI-FSPLSTOPSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-3-5(2)7(9)8(13)10-14-4-6(11)12/h5,7H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)/t5-,7-/m0/s1.
What are the key properties of 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid?
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid has a molecular weight of 204.23 g/mol, XLogP of -0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]oxyacetic acid is sourced from PubChem (CID 104867446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).