(2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide

C10H21N3O2 — CID 148575646

IUPAC(2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide
SMILESCC(O)N[C@H](C)CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H21N3O2/c1-7(13-8(2)14)6-12-10(15)9-4-3-5-11-9/h7-9,11,13-14H,3-6H2,1-2H3,(H,12,15)/t7-,8?,9+/m1/s1
InChIKeyMXSVPOMIVIFYPM-NBXIYJJMSA-N
MW215.30 g/mol
LogP-0.83
Rot. Bonds5

About (2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide

(2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide (PubChem CID 148575646) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide
PubChem CID148575646
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name(2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide
SMILESCC(O)N[C@H](C)CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H21N3O2/c1-7(13-8(2)14)6-12-10(15)9-4-3-5-11-9/h7-9,11,13-14H,3-6H2,1-2H3,(H,12,15)/t7-,8?,9+/m1/s1
InChIKeyMXSVPOMIVIFYPM-NBXIYJJMSA-N
XLogP-0.83
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
N-(2-cyclopropylpropyl)pyrrolidine-2-carboxamide
CID 115591240
(2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
CID 103795786
N-(2-cyclopropyl-2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 63297013
(2R)-N-(2-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 103812099
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
N-(3-amino-2-hydroxy-3-oxopropyl)pyrrolidine-2-carboxamide
CID 106175824
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078
(2S)-N-(2-methoxypropyl)piperidine-2-carboxamide
CID 102695060
N-(2-aminopropyl)piperidine-2-carboxamide;hydrochloride
CID 130685962
4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104901378

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide (CID 148575646) is (2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide is CC(O)N[C@H](C)CNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide?
The InChIKey is MXSVPOMIVIFYPM-NBXIYJJMSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(13-8(2)14)6-12-10(15)9-4-3-5-11-9/h7-9,11,13-14H,3-6H2,1-2H3,(H,12,15)/t7-,8?,9+/m1/s1.
What are the key properties of (2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide?
(2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide has a molecular weight of 215.30 g/mol, XLogP of -0.83, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 148575646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).