2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide

C13H16N2O — CID 114995959

IUPAC2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide
SMILESNC1CC1C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C13H16N2O/c14-11-6-10(11)13(16)15-12-7-9(12)8-4-2-1-3-5-8/h1-5,9-12H,6-7,14H2,(H,15,16)
InChIKeyXJMSHWABXWDHAK-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.01
Rot. Bonds3

About 2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide

2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide (PubChem CID 114995959) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide
PubChem CID114995959
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide
SMILESNC1CC1C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C13H16N2O/c14-11-6-10(11)13(16)15-12-7-9(12)8-4-2-1-3-5-8/h1-5,9-12H,6-7,14H2,(H,15,16)
InChIKeyXJMSHWABXWDHAK-UHFFFAOYSA-N
XLogP1.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-phenylcyclopropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978629
3-N-[(1R,2S)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide;hydrochloride
CID 154586680
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
(3S)-3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]-1-[4-[4-[(3S,4S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]-4-[[(2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]phenyl]benzoyl]pyrrolidine-3,4-dicarboxamide
CID 154971108
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151
2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 118334207
(3S,4S)-1-[2-[3-[2-[(3S,4S)-3,4-bis[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]phenyl]acetyl]-3-N,4-N-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide
CID 154586669
2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 92859467
(2S)-2-amino-2-phenyl-N-(2-phenylcyclopropyl)acetamide
CID 104897747
2-amino-2-methyl-N-(2-phenylcyclopropyl)propanamide;hydrochloride
CID 119281635
methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate
CID 112617050

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide (CID 114995959) is 2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide is NC1CC1C(=O)NC1CC1c1ccccc1.
What is the InChIKey of 2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide?
The InChIKey is XJMSHWABXWDHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-11-6-10(11)13(16)15-12-7-9(12)8-4-2-1-3-5-8/h1-5,9-12H,6-7,14H2,(H,15,16).
What are the key properties of 2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide?
2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-phenylcyclopropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 114995959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).