N-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide

C11H18ClN3O3 — CID 54987842

IUPACN-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide
SMILESNC(=O)CN(C(=O)NC(=O)CCCl)C1CCCC1
InChIInChI=1S/C11H18ClN3O3/c12-6-5-10(17)14-11(18)15(7-9(13)16)8-3-1-2-4-8/h8H,1-7H2,(H2,13,16)(H,14,17,18)
InChIKeyJWEPBRDWIIZRBZ-UHFFFAOYSA-N
MW275.74 g/mol
LogP0.58
Rot. Bonds5

About N-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide

N-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide (PubChem CID 54987842) has the molecular formula C11H18ClN3O3 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide.

Molecular Properties

Compound NameN-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide
PubChem CID54987842
Molecular FormulaC11H18ClN3O3
Molecular Weight275.74 g/mol
Exact Mass275.10
IUPAC NameN-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide
SMILESNC(=O)CN(C(=O)NC(=O)CCCl)C1CCCC1
InChIInChI=1S/C11H18ClN3O3/c12-6-5-10(17)14-11(18)15(7-9(13)16)8-3-1-2-4-8/h8H,1-7H2,(H2,13,16)(H,14,17,18)
InChIKeyJWEPBRDWIIZRBZ-UHFFFAOYSA-N
XLogP0.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[cyclohexyl(methyl)carbamoyl]propanamide
CID 43146223
N-[butyl(cyclopropyl)carbamoyl]-3-chloropropanamide
CID 61444003
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid
CID 54987589
ethyl 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]acetate
CID 54949005
N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-hydroxybutanamide
CID 79204116
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 79801359
4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541892
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(propan-2-ylamino)acetamide
CID 54871672
2-[2-chloroethylsulfonyl(cyclopentyl)amino]acetamide
CID 107651092
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-methoxypropanamide
CID 47418493
3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid
CID 106109953
N-(2-amino-2-oxoethyl)-2-(butan-2-ylamino)-N-cyclopentylacetamide
CID 54871684

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide?
The IUPAC name of N-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide (CID 54987842) is N-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide.
What is the SMILES notation for N-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide?
The canonical SMILES for N-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide is NC(=O)CN(C(=O)NC(=O)CCCl)C1CCCC1.
What is the InChIKey of N-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide?
The InChIKey is JWEPBRDWIIZRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O3/c12-6-5-10(17)14-11(18)15(7-9(13)16)8-3-1-2-4-8/h8H,1-7H2,(H2,13,16)(H,14,17,18).
What are the key properties of N-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide?
N-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide has a molecular weight of 275.74 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-3-chloropropanamide is sourced from PubChem (CID 54987842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).