N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide

C12H22N2O3 — CID 79411085

IUPACN-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H22N2O3/c1-8(14-6-10(15)11(16)7-14)12(17)13-9-4-2-3-5-9/h8-11,15-16H,2-7H2,1H3,(H,13,17)/t8?,10-,11+
InChIKeyHTPQLQCIOZPHAU-UQPYNNQESA-N
MW242.32 g/mol
LogP-0.53
Rot. Bonds3

About N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide

N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide (PubChem CID 79411085) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide
PubChem CID79411085
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H22N2O3/c1-8(14-6-10(15)11(16)7-14)12(17)13-9-4-2-3-5-9/h8-11,15-16H,2-7H2,1H3,(H,13,17)/t8?,10-,11+
InChIKeyHTPQLQCIOZPHAU-UQPYNNQESA-N
XLogP-0.53
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(3-aminoazetidin-1-yl)-N-cyclopropylpropanamide
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2-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60573199
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide
CID 64850648
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide
CID 102682591
N-cyclopentyl-2-(3-methylpiperazin-1-yl)propanamide
CID 65447521
N-cyclopentyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853758
(3S)-1-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 8543236
N-cyclopentyl-2-[4-(ethylamino)piperidin-1-yl]propanamide
CID 54923819
N-cyclopentyl-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 51073855
N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115745

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide (CID 79411085) is N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide is CC(C(=O)NC1CCCC1)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide?
The InChIKey is HTPQLQCIOZPHAU-UQPYNNQESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(14-6-10(15)11(16)7-14)12(17)13-9-4-2-3-5-9/h8-11,15-16H,2-7H2,1H3,(H,13,17)/t8?,10-,11+.
What are the key properties of N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide?
N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide has a molecular weight of 242.32 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide is sourced from PubChem (CID 79411085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).