(2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid

C11H12FNO4 — CID 14683731

IUPAC(2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(NC[C@H](F)C(=O)O)OCc1ccccc1
InChIInChI=1S/C11H12FNO4/c12-9(10(14)15)6-13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKeyPRCRXSPODYFHHF-VIFPVBQESA-N
MW241.22 g/mol
LogP1.34
Rot. Bonds5

About (2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid

(2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid (PubChem CID 14683731) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is (2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid
PubChem CID14683731
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name(2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(NC[C@H](F)C(=O)O)OCc1ccccc1
InChIInChI=1S/C11H12FNO4/c12-9(10(14)15)6-13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKeyPRCRXSPODYFHHF-VIFPVBQESA-N
XLogP1.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-amino-3,3-difluoropropyl)carbamate
CID 86731696
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786
(2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid
CID 70815205
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
2-hydroxy-3-oxo-4-(phenylmethoxycarbonylamino)butanoic acid
CID 139920935
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
benzyl (2R)-2-amino-3-(phenylmethoxycarbonylamino)propanoate;2,2,2-trifluoroacetic acid
CID 134608665
(2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid
CID 67806638
benzyl N-[(2S)-2-aminopropyl]carbamate;2,2,2-trifluoroacetic acid
CID 172757752

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid?
The IUPAC name of (2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid (CID 14683731) is (2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid is O=C(NC[C@H](F)C(=O)O)OCc1ccccc1.
What is the InChIKey of (2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid?
The InChIKey is PRCRXSPODYFHHF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12FNO4/c12-9(10(14)15)6-13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid?
(2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid has a molecular weight of 241.22 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 14683731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).