N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide

C15H21N3O2 — CID 79023059

IUPACN-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCC[C@H](N)C(=O)NCc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-2-13(16)15(20)17-9-10-3-7-12(8-4-10)18-14(19)11-5-6-11/h3-4,7-8,11,13H,2,5-6,9,16H2,1H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyZZQDIQXPUIWZIC-ZDUSSCGKSA-N
MW275.35 g/mol
LogP1.39
Rot. Bonds6

About N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide

N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 79023059) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID79023059
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESCC[C@H](N)C(=O)NCc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-2-13(16)15(20)17-9-10-3-7-12(8-4-10)18-14(19)11-5-6-11/h3-4,7-8,11,13H,2,5-6,9,16H2,1H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyZZQDIQXPUIWZIC-ZDUSSCGKSA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 81071747
N-[4-[[[2-(carbamoylamino)-3-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 42927190
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide
CID 82359770
N-[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252836
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
N-[4-[(1-hydroxypropan-2-ylcarbamoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 43063537
N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30886257
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642
N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide
CID 82254939
4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
CID 18140391
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide (CID 79023059) is N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide is CC[C@H](N)C(=O)NCc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is ZZQDIQXPUIWZIC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-13(16)15(20)17-9-10-3-7-12(8-4-10)18-14(19)11-5-6-11/h3-4,7-8,11,13H,2,5-6,9,16H2,1H3,(H,17,20)(H,18,19)/t13-/m0/s1.
What are the key properties of N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide?
N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 79023059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).