(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide

C9H19N3O2 — CID 28943524

IUPAC(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCN(C)CCNC(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C9H19N3O2/c1-12(2)4-3-10-9(14)8-5-7(13)6-11-8/h7-8,11,13H,3-6H2,1-2H3,(H,10,14)/t7-,8-/m0/s1
InChIKeyVTTQNTXHHPYFOG-YUMQZZPRSA-N
MW201.27 g/mol
LogP-1.61
Rot. Bonds4

About (2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide

(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 28943524) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID28943524
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCN(C)CCNC(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C9H19N3O2/c1-12(2)4-3-10-9(14)8-5-7(13)6-11-8/h7-8,11,13H,3-6H2,1-2H3,(H,10,14)/t7-,8-/m0/s1
InChIKeyVTTQNTXHHPYFOG-YUMQZZPRSA-N
XLogP-1.61
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130652446
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43310992
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
N-[4-(diethylamino)butyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119852549
4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide
CID 61275212
2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 92860822
N-[(2,2-dimethylcyclopropyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119785412
(2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124686388
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119853416
(2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 94229368

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 28943524) is (2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide is CN(C)CCNC(=O)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of (2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is VTTQNTXHHPYFOG-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-12(2)4-3-10-9(14)8-5-7(13)6-11-8/h7-8,11,13H,3-6H2,1-2H3,(H,10,14)/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 201.27 g/mol, XLogP of -1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 28943524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).