2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide

C12H23N3O3 — CID 103282628

IUPAC2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)NCC1CCC(O)C1
InChIInChI=1S/C12H23N3O3/c1-7(2)10(15-12(13)18)11(17)14-6-8-3-4-9(16)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,17)(H3,13,15,18)
InChIKeyXUJZBXVLEXTOMR-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.04
Rot. Bonds5

About 2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide

2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide (PubChem CID 103282628) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide
PubChem CID103282628
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)NCC1CCC(O)C1
InChIInChI=1S/C12H23N3O3/c1-7(2)10(15-12(13)18)11(17)14-6-8-3-4-9(16)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,17)(H3,13,15,18)
InChIKeyXUJZBXVLEXTOMR-UHFFFAOYSA-N
XLogP-0.04
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
N-[(3-hydroxycyclopentyl)methyl]-2-methoxypropanamide
CID 103279856
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide
CID 106137756
2-ethyl-N-[(3-hydroxycyclopentyl)methyl]butanamide
CID 103279737
N-carbamoyl-2-[(3-hydroxycyclopentyl)methylamino]propanamide
CID 106129954
N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 111460318
2-amino-N-[(3-hydroxycyclopentyl)methyl]hexanamide
CID 106134012
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide
CID 106121936
2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 106128023
4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid
CID 106134041
(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
CID 35138595
methyl N-[(3-hydroxycyclopentyl)methyl]carbamate
CID 103279767

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide (CID 103282628) is 2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide is CC(C)C(NC(N)=O)C(=O)NCC1CCC(O)C1.
What is the InChIKey of 2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide?
The InChIKey is XUJZBXVLEXTOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-7(2)10(15-12(13)18)11(17)14-6-8-3-4-9(16)5-8/h7-10,16H,3-6H2,1-2H3,(H,14,17)(H3,13,15,18).
What are the key properties of 2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide?
2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide has a molecular weight of 257.33 g/mol, XLogP of -0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 103282628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).