[(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid

C6H11N3O3 — CID 90426122

IUPAC[(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid
SMILESN[C@@H]1CNC(=O)C[C@@H]1NC(=O)O
InChIInChI=1S/C6H11N3O3/c7-3-2-8-5(10)1-4(3)9-6(11)12/h3-4,9H,1-2,7H2,(H,8,10)(H,11,12)/t3-,4+/m1/s1
InChIKeyXGWFLMSVJIRWRC-DMTCNVIQSA-N
MW173.17 g/mol
LogP-1.53
Rot. Bonds1

About [(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid

[(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid (PubChem CID 90426122) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is [(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid
PubChem CID90426122
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name[(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid
SMILESN[C@@H]1CNC(=O)C[C@@H]1NC(=O)O
InChIInChI=1S/C6H11N3O3/c7-3-2-8-5(10)1-4(3)9-6(11)12/h3-4,9H,1-2,7H2,(H,8,10)(H,11,12)/t3-,4+/m1/s1
InChIKeyXGWFLMSVJIRWRC-DMTCNVIQSA-N
XLogP-1.53
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

[(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid
CID 69017536
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
4-amino-5-hydroxypiperidin-2-one
CID 131579230
[(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid
CID 118874609
[(2S,3S)-2-cyclopropyl-5-oxopyrrolidin-3-yl]carbamic acid
CID 138684888
(4-amino-6-oxopiperidin-3-yl) carbamate
CID 175060325
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369
(4R)-4-aminopyrrolidin-2-one;dihydrochloride
CID 121000296
N-[(1R,2R)-2-aminocyclohexyl]-6-oxopiperidine-3-carboxamide
CID 103805817
[(2R,3R)-2-(cyclopropylmethyl)-5-oxopyrrolidin-3-yl]carbamic acid
CID 138684856
[(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid
CID 118874617
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106191704

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid?
The IUPAC name of [(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid (CID 90426122) is [(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid.
What is the SMILES notation for [(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid?
The canonical SMILES for [(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid is N[C@@H]1CNC(=O)C[C@@H]1NC(=O)O.
What is the InChIKey of [(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid?
The InChIKey is XGWFLMSVJIRWRC-DMTCNVIQSA-N. The full InChI is InChI=1S/C6H11N3O3/c7-3-2-8-5(10)1-4(3)9-6(11)12/h3-4,9H,1-2,7H2,(H,8,10)(H,11,12)/t3-,4+/m1/s1.
What are the key properties of [(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid?
[(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid has a molecular weight of 173.17 g/mol, XLogP of -1.53, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid is sourced from PubChem (CID 90426122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).