(2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C8H16ClN3O3 — CID 130637003

IUPAC(2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESC[C@H](NC(=O)[C@H]1C[C@H](O)CN1)C(N)=O.Cl
InChIInChI=1S/C8H15N3O3.ClH/c1-4(7(9)13)11-8(14)6-2-5(12)3-10-6;/h4-6,10,12H,2-3H2,1H3,(H2,9,13)(H,11,14);1H/t4-,5-,6+;/m0./s1
InChIKeyPBDDIYMSWRYSPE-WLUDYRNVSA-N
MW237.69 g/mol
LogP-1.88
Rot. Bonds3

About (2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

(2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 130637003) has the molecular formula C8H16ClN3O3 and a molecular weight of 237.69 g/mol. Its IUPAC name is (2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID130637003
Molecular FormulaC8H16ClN3O3
Molecular Weight237.69 g/mol
Exact Mass237.09
IUPAC Name(2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESC[C@H](NC(=O)[C@H]1C[C@H](O)CN1)C(N)=O.Cl
InChIInChI=1S/C8H15N3O3.ClH/c1-4(7(9)13)11-8(14)6-2-5(12)3-10-6;/h4-6,10,12H,2-3H2,1H3,(H2,9,13)(H,11,14);1H/t4-,5-,6+;/m0./s1
InChIKeyPBDDIYMSWRYSPE-WLUDYRNVSA-N
XLogP-1.88
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 5-1.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

tert-butyl (2S)-2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoate
CID 165351513
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119748183
(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130719317
(2R)-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009605
N-[(1S)-1-cyclopentylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81391568
(2S,4R)-4-hydroxypyrrolidine-2-carbohydrazide
CID 45084250
tert-butyl N-[(3S,5S)-5-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-3-yl]carbamate
CID 167222024
4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119803231
(2S)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 68860939
(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 61155752
4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 65048907
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 54958945

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 130637003) is (2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is C[C@H](NC(=O)[C@H]1C[C@H](O)CN1)C(N)=O.Cl.
What is the InChIKey of (2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is PBDDIYMSWRYSPE-WLUDYRNVSA-N. The full InChI is InChI=1S/C8H15N3O3.ClH/c1-4(7(9)13)11-8(14)6-2-5(12)3-10-6;/h4-6,10,12H,2-3H2,1H3,(H2,9,13)(H,11,14);1H/t4-,5-,6+;/m0./s1.
What are the key properties of (2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
(2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 237.69 g/mol, XLogP of -1.88, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 130637003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).