(2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide

C12H24N2O2 — CID 67200162

IUPAC(2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1CCCO
InChIInChI=1S/C12H24N2O2/c1-3-13(4-2)12(16)11-7-5-8-14(11)9-6-10-15/h11,15H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyRNUCGIKDIYZWDQ-NSHDSACASA-N
MW228.34 g/mol
LogP0.70
Rot. Bonds6

About (2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide

(2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide (PubChem CID 67200162) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
PubChem CID67200162
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1CCCO
InChIInChI=1S/C12H24N2O2/c1-3-13(4-2)12(16)11-7-5-8-14(11)9-6-10-15/h11,15H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyRNUCGIKDIYZWDQ-NSHDSACASA-N
XLogP0.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-methylpyrrolidine-2-carboxamide
CID 21365849
(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 45116058
(2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide
CID 124845733
1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone
CID 63844463
1-butylpyrrolidine-2-carboxamide
CID 19388617
1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
CID 104540976
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
1-(4-hydroxybutyl)azepane-2-carboxylic acid
CID 64563148
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
1-(2-aminoacetyl)-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 119305869
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115536916

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide (CID 67200162) is (2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN1CCCO.
What is the InChIKey of (2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is RNUCGIKDIYZWDQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-13(4-2)12(16)11-7-5-8-14(11)9-6-10-15/h11,15H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide?
(2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 67200162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).