2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride

C12H24ClN3O2 — CID 119692657

IUPAC2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)CNC(=O)C1CCCC1N.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-12(2,3)15-10(16)7-14-11(17)8-5-4-6-9(8)13;/h8-9H,4-7,13H2,1-3H3,(H,14,17)(H,15,16);1H
InChIKeyKLFQHYLYXCBGJH-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.57
Rot. Bonds3

About 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride

2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119692657) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119692657
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC Name2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)CNC(=O)C1CCCC1N.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-12(2,3)15-10(16)7-14-11(17)8-5-4-6-9(8)13;/h8-9H,4-7,13H2,1-3H3,(H,14,17)(H,15,16);1H
InChIKeyKLFQHYLYXCBGJH-UHFFFAOYSA-N
XLogP0.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 113361167
cis-(1S,2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092685
methyl 2-[(2-aminocyclopentanecarbonyl)amino]acetate
CID 64823371
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 64824290
2-amino-N-[2-(dimethylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119689245
2-amino-N-(2,3-dihydroxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 66186728
methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
CID 64823158
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272921
N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388327
2-amino-N-(2-methyl-2-phenylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119724297
N-[2-(tert-butylamino)-2-oxoethyl]-2,2-dichlorocyclopropane-1-carboxamide
CID 86915229
2-amino-N-(cyclohexylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119672519

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride (CID 119692657) is 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride is CC(C)(C)NC(=O)CNC(=O)C1CCCC1N.Cl.
What is the InChIKey of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is KLFQHYLYXCBGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-12(2,3)15-10(16)7-14-11(17)8-5-4-6-9(8)13;/h8-9H,4-7,13H2,1-3H3,(H,14,17)(H,15,16);1H.
What are the key properties of 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride?
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119692657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).