(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide

C11H23N3O — CID 107569640

IUPAC(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCCN(C)C1CC1
InChIInChI=1S/C11H23N3O/c1-3-4-10(12)11(15)13-7-8-14(2)9-5-6-9/h9-10H,3-8,12H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeyJNFGGLDDRHUSFE-JTQLQIEISA-N
MW213.32 g/mol
LogP0.32
Rot. Bonds7

About (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide

(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide (PubChem CID 107569640) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
PubChem CID107569640
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCCN(C)C1CC1
InChIInChI=1S/C11H23N3O/c1-3-4-10(12)11(15)13-7-8-14(2)9-5-6-9/h9-10H,3-8,12H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeyJNFGGLDDRHUSFE-JTQLQIEISA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316290
(2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide
CID 62975934
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide
CID 76979692
(2R)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide
CID 78919866
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119863863
6-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylheptanamide
CID 65291228
(2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 103813236
2-amino-N-propylpentanamide
CID 43649977
N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide
CID 115733623
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide
CID 62976116
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentan-2-ylpropanamide
CID 62976128
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide (CID 107569640) is (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide is CCC[C@H](N)C(=O)NCCN(C)C1CC1.
What is the InChIKey of (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide?
The InChIKey is JNFGGLDDRHUSFE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-4-10(12)11(15)13-7-8-14(2)9-5-6-9/h9-10H,3-8,12H2,1-2H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide?
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide has a molecular weight of 213.32 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide is sourced from PubChem (CID 107569640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).