N-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride

C15H28ClN3O2 — CID 119613774

IUPACN-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride
SMILESCl.NCC(NC(=O)CNC(=O)CCC1CCCC1)C1CC1
InChIInChI=1S/C15H27N3O2.ClH/c16-9-13(12-6-7-12)18-15(20)10-17-14(19)8-5-11-3-1-2-4-11;/h11-13H,1-10,16H2,(H,17,19)(H,18,20);1H
InChIKeyUSMGROQUSKEGTE-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.35
Rot. Bonds8

About N-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride

N-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride (PubChem CID 119613774) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is N-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride
PubChem CID119613774
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC NameN-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride
SMILESCl.NCC(NC(=O)CNC(=O)CCC1CCCC1)C1CC1
InChIInChI=1S/C15H27N3O2.ClH/c16-9-13(12-6-7-12)18-15(20)10-17-14(19)8-5-11-3-1-2-4-11;/h11-13H,1-10,16H2,(H,17,19)(H,18,20);1H
InChIKeyUSMGROQUSKEGTE-UHFFFAOYSA-N
XLogP1.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride
CID 119589621
N-(2-amino-1-cyclopentylethyl)-3-cyclohexylpropanamide
CID 106737712
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269
N-(2-amino-2-oxoethyl)-3-cyclopentylpropanamide
CID 60668206
3-cyclopentyl-N-[2-[(2-cyclopentyl-2-hydroxyethyl)amino]-2-oxoethyl]propanamide
CID 111426276
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide
CID 81486060
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
CID 119589343
3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid
CID 119114013
N-[4-[(2-amino-1-cyclopropylethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 119615517
N-(2-bromoprop-2-enyl)-3-cyclopentylpropanamide
CID 115594621
3-cyclopentyl-N-(2-methylprop-2-enyl)propanamide
CID 91695995
3-cyclopentyl-N-[2-(3-hydroxybutylamino)-2-oxoethyl]propanamide
CID 111433458

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride?
The IUPAC name of N-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride (CID 119613774) is N-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride?
The canonical SMILES for N-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride is Cl.NCC(NC(=O)CNC(=O)CCC1CCCC1)C1CC1.
What is the InChIKey of N-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride?
The InChIKey is USMGROQUSKEGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c16-9-13(12-6-7-12)18-15(20)10-17-14(19)8-5-11-3-1-2-4-11;/h11-13H,1-10,16H2,(H,17,19)(H,18,20);1H.
What are the key properties of N-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride?
N-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride is sourced from PubChem (CID 119613774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).