cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate

C14H24N2O4 — CID 168971647

IUPACcyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCN(CCCO)C(=O)[C@@H]1CCCN1C(=O)OCC1CC1
InChIInChI=1S/C14H24N2O4/c1-15(7-3-9-17)13(18)12-4-2-8-16(12)14(19)20-10-11-5-6-11/h11-12,17H,2-10H2,1H3/t12-/m0/s1
InChIKeyBAWOWTKOGVOZCB-LBPRGKRZSA-N
MW284.36 g/mol
LogP0.84
Rot. Bonds6

About cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate

cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 168971647) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID168971647
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namecyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCN(CCCO)C(=O)[C@@H]1CCCN1C(=O)OCC1CC1
InChIInChI=1S/C14H24N2O4/c1-15(7-3-9-17)13(18)12-4-2-8-16(12)14(19)20-10-11-5-6-11/h11-12,17H,2-10H2,1H3/t12-/m0/s1
InChIKeyBAWOWTKOGVOZCB-LBPRGKRZSA-N
XLogP0.84
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 114230556
tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110415924
ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
CID 60700666
(2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide
CID 136580497
9H-fluoren-9-ylmethyl (2S)-2-[(2S)-2-[[6-[3-[ethoxy(dimethyl)silyl]propylamino]-6-oxohexyl]-methylcarbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 58743586
(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
(2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride
CID 119659230
N-hexyl-N,1-dimethylpyrrolidine-2-carboxamide
CID 22897375
N-butyl-1-(3,5-dichlorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 55609027
1-benzoyl-N-(2-hydroxyethyl)-N-methylpiperidine-2-carboxamide
CID 110887525
1-O-butyl 2-O-dodecyl pyrrolidine-1,2-dicarboxylate
CID 6424636
(2R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78948208

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate (CID 168971647) is cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate is CN(CCCO)C(=O)[C@@H]1CCCN1C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is BAWOWTKOGVOZCB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-15(7-3-9-17)13(18)12-4-2-8-16(12)14(19)20-10-11-5-6-11/h11-12,17H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate?
cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 168971647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).