(3R)-3-(phenylmethoxycarbonylamino)butanoic acid

C12H15NO4 — CID 14221352

IUPAC(3R)-3-(phenylmethoxycarbonylamino)butanoic acid
SMILESC[C@H](CC(=O)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c1-9(7-11(14)15)13-12(16)17-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyHYWJKPFAIAWVHP-SECBINFHSA-N
MW237.25 g/mol
LogP1.78
Rot. Bonds5

About (3R)-3-(phenylmethoxycarbonylamino)butanoic acid

(3R)-3-(phenylmethoxycarbonylamino)butanoic acid (PubChem CID 14221352) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (3R)-3-(phenylmethoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(phenylmethoxycarbonylamino)butanoic acid
PubChem CID14221352
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(3R)-3-(phenylmethoxycarbonylamino)butanoic acid
SMILESC[C@H](CC(=O)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c1-9(7-11(14)15)13-12(16)17-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyHYWJKPFAIAWVHP-SECBINFHSA-N
XLogP1.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(phenylmethoxycarbonylamino)butanoic acid?
The IUPAC name of (3R)-3-(phenylmethoxycarbonylamino)butanoic acid (CID 14221352) is (3R)-3-(phenylmethoxycarbonylamino)butanoic acid.
What is the SMILES notation for (3R)-3-(phenylmethoxycarbonylamino)butanoic acid?
The canonical SMILES for (3R)-3-(phenylmethoxycarbonylamino)butanoic acid is C[C@H](CC(=O)O)NC(=O)OCc1ccccc1.
What is the InChIKey of (3R)-3-(phenylmethoxycarbonylamino)butanoic acid?
The InChIKey is HYWJKPFAIAWVHP-SECBINFHSA-N. The full InChI is InChI=1S/C12H15NO4/c1-9(7-11(14)15)13-12(16)17-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,16)(H,14,15)/t9-/m1/s1.
What are the key properties of (3R)-3-(phenylmethoxycarbonylamino)butanoic acid?
(3R)-3-(phenylmethoxycarbonylamino)butanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(phenylmethoxycarbonylamino)butanoic acid is sourced from PubChem (CID 14221352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).