(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide

C7H14N2O2 — CID 28943534

IUPAC(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C7H14N2O2/c1-2-8-7(11)6-3-5(10)4-9-6/h5-6,9-10H,2-4H2,1H3,(H,8,11)/t5-,6+/m0/s1
InChIKeyJVRAWLCPDUXNKF-NTSWFWBYSA-N
MW158.20 g/mol
LogP-1.15
Rot. Bonds2

About (2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide

(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 28943534) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
PubChem CID28943534
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C7H14N2O2/c1-2-8-7(11)6-3-5(10)4-9-6/h5-6,9-10H,2-4H2,1H3,(H,8,11)/t5-,6+/m0/s1
InChIKeyJVRAWLCPDUXNKF-NTSWFWBYSA-N
XLogP-1.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 92860822
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943524
N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43310992
4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide
CID 119784032
(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130652446
N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 131159808
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
ethylcarbamoyl (2S,4S)-4-hydroxypyrrolidine-2-carboperoxoate
CID 140615237
CID 160581265
CID 160581265
N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119755043
4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide
CID 119811886

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide (CID 28943534) is (2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide is CCNC(=O)[C@H]1C[C@H](O)CN1.
What is the InChIKey of (2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is JVRAWLCPDUXNKF-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-8-7(11)6-3-5(10)4-9-6/h5-6,9-10H,2-4H2,1H3,(H,8,11)/t5-,6+/m0/s1.
What are the key properties of (2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide?
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 158.20 g/mol, XLogP of -1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 28943534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).