1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid

C13H23N3O4 — CID 103995625

IUPAC1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)NC(=O)CCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23N3O4/c1-9(2)15-10(17)5-8-14-12(20)16-13(11(18)19)6-3-4-7-13/h9H,3-8H2,1-2H3,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyINWONZPULKRFDZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.60
Rot. Bonds6

About 1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid

1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 103995625) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID103995625
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)NC(=O)CCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23N3O4/c1-9(2)15-10(17)5-8-14-12(20)16-13(11(18)19)6-3-4-7-13/h9H,3-8H2,1-2H3,(H,15,17)(H,18,19)(H2,14,16,20)
InChIKeyINWONZPULKRFDZ-UHFFFAOYSA-N
XLogP0.60
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid (CID 103995625) is 1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid is CC(C)NC(=O)CCNC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is INWONZPULKRFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(2)15-10(17)5-8-14-12(20)16-13(11(18)19)6-3-4-7-13/h9H,3-8H2,1-2H3,(H,15,17)(H,18,19)(H2,14,16,20).
What are the key properties of 1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid?
1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103995625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).