(2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide

C5H11N3O2 — CID 45084250

IUPAC(2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide
SMILESNNC(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C5H11N3O2/c6-8-5(10)4-1-3(9)2-7-4/h3-4,7,9H,1-2,6H2,(H,8,10)/t3-,4+/m1/s1
InChIKeyDQPBFVWXINZXKL-DMTCNVIQSA-N
MW145.16 g/mol
LogP-2.30
Rot. Bonds1

About (2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide

(2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide (PubChem CID 45084250) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide
PubChem CID45084250
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name(2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide
SMILESNNC(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C5H11N3O2/c6-8-5(10)4-1-3(9)2-7-4/h3-4,7,9H,1-2,6H2,(H,8,10)/t3-,4+/m1/s1
InChIKeyDQPBFVWXINZXKL-DMTCNVIQSA-N
XLogP-2.30
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-2.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130652446
(2S)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 68860939
2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 92860822
(2S,4R)-N-cyclobutyl-4-hydroxypyrrolidine-2-carboxamide
CID 66855041
(2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130637003
1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone
CID 154429079
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
N-[4-(carbamoylamino)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43711133
amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 159655489
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide?
The IUPAC name of (2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide (CID 45084250) is (2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide.
What is the SMILES notation for (2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide?
The canonical SMILES for (2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide is NNC(=O)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide?
The InChIKey is DQPBFVWXINZXKL-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H11N3O2/c6-8-5(10)4-1-3(9)2-7-4/h3-4,7,9H,1-2,6H2,(H,8,10)/t3-,4+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide?
(2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide has a molecular weight of 145.16 g/mol, XLogP of -2.30, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide is sourced from PubChem (CID 45084250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).