(2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid

C15H20N2O3 — CID 103930596

IUPAC(2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)C1(c2ccc(N)cc2)CC1)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-9(2)12(13(18)19)17-14(20)15(7-8-15)10-3-5-11(16)6-4-10/h3-6,9,12H,7-8,16H2,1-2H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyXLPXQEHKHJLYRX-GFCCVEGCSA-N
MW276.34 g/mol
LogP1.53
Rot. Bonds5

About (2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid

(2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid (PubChem CID 103930596) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
PubChem CID103930596
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)C1(c2ccc(N)cc2)CC1)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-9(2)12(13(18)19)17-14(20)15(7-8-15)10-3-5-11(16)6-4-10/h3-6,9,12H,7-8,16H2,1-2H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyXLPXQEHKHJLYRX-GFCCVEGCSA-N
XLogP1.53
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930585
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 112558324
1-(4-aminophenyl)-N-(1,1-dimethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 115913719
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-4-hydroxybutanoic acid
CID 107824796
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]hexanoic acid
CID 115913511
1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 103109008
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]pent-4-ynoic acid
CID 115913879
1-(4-aminophenyl)-N-propan-2-ylsulfonylcyclopropane-1-carboxamide
CID 103308179
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
1-(4-aminophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclopropane-1-carboxamide
CID 103930614
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid (CID 103930596) is (2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)C1(c2ccc(N)cc2)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid?
The InChIKey is XLPXQEHKHJLYRX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9(2)12(13(18)19)17-14(20)15(7-8-15)10-3-5-11(16)6-4-10/h3-6,9,12H,7-8,16H2,1-2H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid?
(2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 103930596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).