2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide

C18H28N2O4 — CID 167992949

IUPAC2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide
SMILESCC(C(=O)N[C@@H]1C[C@@H](NC(=O)CCC2CCCO2)C[C@H]1O)=C1CC1
InChIInChI=1S/C18H28N2O4/c1-11(12-4-5-12)18(23)20-15-9-13(10-16(15)21)19-17(22)7-6-14-3-2-8-24-14/h13-16,21H,2-10H2,1H3,(H,19,22)(H,20,23)/t13-,14?,15-,16-/m1/s1
InChIKeyKZJOVTPBDWXODJ-QGAIPKOMSA-N
MW336.43 g/mol
LogP1.18
Rot. Bonds6

About 2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide

2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide (PubChem CID 167992949) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide.

Molecular Properties

Compound Name2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide
PubChem CID167992949
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide
SMILESCC(C(=O)N[C@@H]1C[C@@H](NC(=O)CCC2CCCO2)C[C@H]1O)=C1CC1
InChIInChI=1S/C18H28N2O4/c1-11(12-4-5-12)18(23)20-15-9-13(10-16(15)21)19-17(22)7-6-14-3-2-8-24-14/h13-16,21H,2-10H2,1H3,(H,19,22)(H,20,23)/t13-,14?,15-,16-/m1/s1
InChIKeyKZJOVTPBDWXODJ-QGAIPKOMSA-N
XLogP1.18
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide with MolForge

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Related Compounds

N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide
CID 65155572
N-(3-methylcyclopentyl)-3-(oxolan-2-yl)propanamide
CID 114549731
N-(4-methylcyclohexyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 51728648
N-(2-bromocyclopentyl)-3-(oxolan-2-yl)propanamide
CID 80661636
cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320914
3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66030722
N-(1-methylsulfonylpiperidin-4-yl)-3-[(2S)-oxolan-2-yl]propanamide
CID 94097831
N-(2-methylpiperidin-4-yl)-3-(oxan-2-yl)propanamide
CID 106995469
4-[3-(oxolan-2-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66222668
3-(oxan-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386884
N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124572050
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(oxolan-2-yl)propanamide
CID 103816964

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide?
The IUPAC name of 2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide (CID 167992949) is 2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide.
What is the SMILES notation for 2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide?
The canonical SMILES for 2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide is CC(C(=O)N[C@@H]1C[C@@H](NC(=O)CCC2CCCO2)C[C@H]1O)=C1CC1.
What is the InChIKey of 2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide?
The InChIKey is KZJOVTPBDWXODJ-QGAIPKOMSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-11(12-4-5-12)18(23)20-15-9-13(10-16(15)21)19-17(22)7-6-14-3-2-8-24-14/h13-16,21H,2-10H2,1H3,(H,19,22)(H,20,23)/t13-,14?,15-,16-/m1/s1.
What are the key properties of 2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide?
2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide has a molecular weight of 336.43 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylidene-N-[(1R,2R,4R)-2-hydroxy-4-[3-(oxolan-2-yl)propanoylamino]cyclopentyl]propanamide is sourced from PubChem (CID 167992949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).