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

C16H23N3O2 — CID 61250751

IUPACN-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-3-10(2)14(17)16(21)19-13-6-4-5-12(9-13)18-15(20)11-7-8-11/h4-6,9-11,14H,3,7-8,17H2,1-2H3,(H,18,20)(H,19,21)/t10?,14-/m0/s1
InChIKeyRLDQPFKPFHPTIP-SBNLOKMTSA-N
MW289.38 g/mol
LogP2.35
Rot. Bonds6

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

N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 61250751) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID61250751
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
SMILESCCC(C)[C@H](N)C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-3-10(2)14(17)16(21)19-13-6-4-5-12(9-13)18-15(20)11-7-8-11/h4-6,9-11,14H,3,7-8,17H2,1-2H3,(H,18,20)(H,19,21)/t10?,14-/m0/s1
InChIKeyRLDQPFKPFHPTIP-SBNLOKMTSA-N
XLogP2.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252836
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119741621
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
2-amino-3-methyl-N-[3-(methylcarbamoylamino)phenyl]pentanamide
CID 119702060
N-[3-[(3-chloro-2-methylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 62726652
N-[1-[3-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46579081
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 79201789
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]benzoic acid
CID 61156933
(2S)-2-amino-3-methyl-N-(3-nitrophenyl)pentanamide
CID 61172453
N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119710490
2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
CID 54862748

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide (CID 61250751) is N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide is CCC(C)[C@H](N)C(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is RLDQPFKPFHPTIP-SBNLOKMTSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-10(2)14(17)16(21)19-13-6-4-5-12(9-13)18-15(20)11-7-8-11/h4-6,9-11,14H,3,7-8,17H2,1-2H3,(H,18,20)(H,19,21)/t10?,14-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide?
N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 61250751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).