methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate

C14H18N2O3 — CID 10587559

IUPACmethyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)[C@@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-19-13(18)14(7-8-14)16-12(17)11(15)9-10-5-3-2-4-6-10/h2-6,11H,7-9,15H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyIRBNZCVVEXUGKF-NSHDSACASA-N
MW262.31 g/mol
LogP0.38
Rot. Bonds5

About methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate

methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate (PubChem CID 10587559) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate
PubChem CID10587559
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)[C@@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-19-13(18)14(7-8-14)16-12(17)11(15)9-10-5-3-2-4-6-10/h2-6,11H,7-9,15H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyIRBNZCVVEXUGKF-NSHDSACASA-N
XLogP0.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate with MolForge

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Related Compounds

N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide
CID 20668330
[[2-[4-(4-phenylbutyl)phenyl]acetyl]amino] 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate
CID 59745029
4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid
CID 115292457
(2R)-2-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide
CID 104866236
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
1-[[(2S)-2-amino-3-phenylpropanoyl]amino]-N-[2-[4-(4-phenylbutyl)phenyl]acetyl]cyclopropane-1-carboxamide
CID 140632387
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
CID 62553374
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
methyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoate
CID 11425598
(2S)-2-amino-N-ethoxy-3-phenylpropanamide
CID 64974630
2-amino-N-ethoxy-3-phenylpropanamide
CID 64974799

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate (CID 10587559) is methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate is COC(=O)C1(NC(=O)[C@@H](N)Cc2ccccc2)CC1.
What is the InChIKey of methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate?
The InChIKey is IRBNZCVVEXUGKF-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-13(18)14(7-8-14)16-12(17)11(15)9-10-5-3-2-4-6-10/h2-6,11H,7-9,15H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate?
methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate is sourced from PubChem (CID 10587559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).