1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide

C12H23N3O2 — CID 55037811

IUPAC1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
SMILESCCNC(=O)C(C)NC(=O)C1(CN)CCCC1
InChIInChI=1S/C12H23N3O2/c1-3-14-10(16)9(2)15-11(17)12(8-13)6-4-5-7-12/h9H,3-8,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFVEUODBZMZHPQA-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.15
Rot. Bonds5

About 1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide (PubChem CID 55037811) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
PubChem CID55037811
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
SMILESCCNC(=O)C(C)NC(=O)C1(CN)CCCC1
InChIInChI=1S/C12H23N3O2/c1-3-14-10(16)9(2)15-11(17)12(8-13)6-4-5-7-12/h9H,3-8,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFVEUODBZMZHPQA-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]pentanamide
CID 11218678
2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
CID 11254190
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide
CID 11322108
Alaptide
CID 119329
8-Methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 541931
(2S)-2-(4-methyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide
CID 9813318
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 90674949
(R)-2-Formylaminomethyl-hexanoic acid ((S)-1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide
CID 44345924
N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 90674950
(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanamide
CID 87787079
(2S)-2-[[(2S)-2-acetamido-3-aminopropanoyl]amino]-4-methylpentanamide
CID 138590999
(2S)-2-[[(2S)-3-amino-2-(butanoylamino)propanoyl]amino]-4-methylpentanamide
CID 138591159

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide (CID 55037811) is 1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide is CCNC(=O)C(C)NC(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is FVEUODBZMZHPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-14-10(16)9(2)15-11(17)12(8-13)6-4-5-7-12/h9H,3-8,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55037811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).