(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid

C13H15NO3 — CID 54432657

IUPAC(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C1(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C13H15NO3/c1-9(11(15)16)14-12(17)13(7-8-13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKeyWIPAYOJVNCRZCN-VIFPVBQESA-N
MW233.27 g/mol
LogP1.31
Rot. Bonds4

About (2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid

(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid (PubChem CID 54432657) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
PubChem CID54432657
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C1(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C13H15NO3/c1-9(11(15)16)14-12(17)13(7-8-13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKeyWIPAYOJVNCRZCN-VIFPVBQESA-N
XLogP1.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
N-(1-amino-1-sulfanylidenepropan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 62881236
(2R)-2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119369696
(2R)-2-[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]propanoic acid
CID 119243849
N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 61246338
(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107822179
2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119225858
N-pent-4-yn-2-yl-1-phenylcyclopropane-1-carboxamide
CID 115661895
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 79245883
1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide
CID 97310746

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid (CID 54432657) is (2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid is C[C@H](NC(=O)C1(c2ccccc2)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is WIPAYOJVNCRZCN-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(11(15)16)14-12(17)13(7-8-13)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid?
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 54432657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).