(2S)-2-(butan-2-yloxyamino)propanoic acid

C7H15NO3 — CID 45086745

IUPAC(2S)-2-(butan-2-yloxyamino)propanoic acid
SMILESCCC(C)ON[C@@H](C)C(=O)O
InChIInChI=1S/C7H15NO3/c1-4-5(2)11-8-6(3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5?,6-/m0/s1
InChIKeyKAUJOHKDYPGTSC-GDVGLLTNSA-N
MW161.20 g/mol
LogP0.78
Rot. Bonds5

About (2S)-2-(butan-2-yloxyamino)propanoic acid

(2S)-2-(butan-2-yloxyamino)propanoic acid (PubChem CID 45086745) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S)-2-(butan-2-yloxyamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(butan-2-yloxyamino)propanoic acid
PubChem CID45086745
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S)-2-(butan-2-yloxyamino)propanoic acid
SMILESCCC(C)ON[C@@H](C)C(=O)O
InChIInChI=1S/C7H15NO3/c1-4-5(2)11-8-6(3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5?,6-/m0/s1
InChIKeyKAUJOHKDYPGTSC-GDVGLLTNSA-N
XLogP0.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2S)-2-(butan-2-yloxyamino)propanoic acid?
The IUPAC name of (2S)-2-(butan-2-yloxyamino)propanoic acid (CID 45086745) is (2S)-2-(butan-2-yloxyamino)propanoic acid.
What is the SMILES notation for (2S)-2-(butan-2-yloxyamino)propanoic acid?
The canonical SMILES for (2S)-2-(butan-2-yloxyamino)propanoic acid is CCC(C)ON[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(butan-2-yloxyamino)propanoic acid?
The InChIKey is KAUJOHKDYPGTSC-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-5(2)11-8-6(3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-(butan-2-yloxyamino)propanoic acid?
(2S)-2-(butan-2-yloxyamino)propanoic acid has a molecular weight of 161.20 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(butan-2-yloxyamino)propanoic acid is sourced from PubChem (CID 45086745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).