(2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid

C15H19NO3 — CID 124692134

IUPAC(2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
SMILESC[C@@H]1C[C@@H]1C(=O)NC[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H19NO3/c1-10-7-13(10)14(17)16-9-12(15(18)19)8-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,16,17)(H,18,19)/t10-,12-,13+/m1/s1
InChIKeyHZOACPRZZJLYQQ-RTXFEEFZSA-N
MW261.32 g/mol
LogP1.70
Rot. Bonds6

About (2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid

(2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid (PubChem CID 124692134) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
PubChem CID124692134
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
SMILESC[C@@H]1C[C@@H]1C(=O)NC[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H19NO3/c1-10-7-13(10)14(17)16-9-12(15(18)19)8-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,16,17)(H,18,19)/t10-,12-,13+/m1/s1
InChIKeyHZOACPRZZJLYQQ-RTXFEEFZSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid with MolForge

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Related Compounds

2-[[(2-methylcyclopropanecarbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 71915487
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
2-benzyl-3-[(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]propanoic acid
CID 119234028
(2R)-2-benzyl-3-[[(2R)-1,4-dioxane-2-carbonyl]amino]propanoic acid
CID 125119461
2-benzyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 119233765
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
(2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride
CID 170899624
2-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232045
trans-(1R,2R)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-methylcyclopropane-1-carboxamide
CID 129419786
2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid
CID 119233645
N-(2-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111102549
(2S)-2-benzyl-3-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 125136876

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid (CID 124692134) is (2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid is C[C@@H]1C[C@@H]1C(=O)NC[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is HZOACPRZZJLYQQ-RTXFEEFZSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-7-13(10)14(17)16-9-12(15(18)19)8-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,16,17)(H,18,19)/t10-,12-,13+/m1/s1.
What are the key properties of (2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid?
(2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 124692134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).