N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide

C13H17N3O2 — CID 78968942

IUPACN-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESC[C@H](N)C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C13H17N3O2/c1-8(14)12(17)15-10-3-2-4-11(7-10)16-13(18)9-5-6-9/h2-4,7-9H,5-6,14H2,1H3,(H,15,17)(H,16,18)/t8-/m0/s1
InChIKeyKNBRIFSRUWAWST-QMMMGPOBSA-N
MW247.30 g/mol
LogP1.32
Rot. Bonds4

About N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide

N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 78968942) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID78968942
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESC[C@H](N)C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C13H17N3O2/c1-8(14)12(17)15-10-3-2-4-11(7-10)16-13(18)9-5-6-9/h2-4,7-9H,5-6,14H2,1H3,(H,15,17)(H,16,18)/t8-/m0/s1
InChIKeyKNBRIFSRUWAWST-QMMMGPOBSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61250751
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 62726652
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 79201789
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119710490
N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 95352627
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate
CID 66173088
N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119814666
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide (CID 78968942) is N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide is C[C@H](N)C(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is KNBRIFSRUWAWST-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(14)12(17)15-10-3-2-4-11(7-10)16-13(18)9-5-6-9/h2-4,7-9H,5-6,14H2,1H3,(H,15,17)(H,16,18)/t8-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide?
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 78968942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).