2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid

C13H16N2O3 — CID 65464716

IUPAC2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid
SMILESCC(NC(=O)C1(N)CC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c1-12(11(17)18,9-5-3-2-4-6-9)15-10(16)13(14)7-8-13/h2-6H,7-8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyPYMBBQHNEOZXPF-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.59
Rot. Bonds4

About 2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid

2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid (PubChem CID 65464716) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid
PubChem CID65464716
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid
SMILESCC(NC(=O)C1(N)CC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c1-12(11(17)18,9-5-3-2-4-6-9)15-10(16)13(14)7-8-13/h2-6H,7-8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyPYMBBQHNEOZXPF-UHFFFAOYSA-N
XLogP0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(carbamoylamino)-2-phenylpropanoic acid
CID 94456492
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-[(2-amino-3,3-dimethylbutanoyl)amino]-2-phenylpropanoic acid
CID 76944505
3-[(1-aminocyclopropanecarbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65456793
1-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
CID 119319900
2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid
CID 115000696
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
2-(phenoxycarbonylamino)-2-phenylpropanoic acid
CID 62489572
2-[[2-(methylamino)acetyl]amino]-2-phenylpropanoic acid
CID 55078720
2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid
CID 62586316
1-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
CID 119769244

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid (CID 65464716) is 2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid is CC(NC(=O)C1(N)CC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is PYMBBQHNEOZXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-12(11(17)18,9-5-3-2-4-6-9)15-10(16)13(14)7-8-13/h2-6H,7-8,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid?
2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 248.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopropanecarbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 65464716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).