[1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid

C14H25N3O4 — CID 68770798

IUPAC[1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid
SMILESCC[C@H](O)[C@@H]1C[C@H](N)CC[C@@H]1N1CCC(NC(=O)O)C1=O
InChIInChI=1S/C14H25N3O4/c1-2-12(18)9-7-8(15)3-4-11(9)17-6-5-10(13(17)19)16-14(20)21/h8-12,16,18H,2-7,15H2,1H3,(H,20,21)/t8-,9-,10?,11+,12+/m1/s1
InChIKeyLZLOKAORGKMNMK-XHVBXGQNSA-N
MW299.37 g/mol
LogP0.12
Rot. Bonds4

About [1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid

[1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid (PubChem CID 68770798) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is [1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid
PubChem CID68770798
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name[1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid
SMILESCC[C@H](O)[C@@H]1C[C@H](N)CC[C@@H]1N1CCC(NC(=O)O)C1=O
InChIInChI=1S/C14H25N3O4/c1-2-12(18)9-7-8(15)3-4-11(9)17-6-5-10(13(17)19)16-14(20)21/h8-12,16,18H,2-7,15H2,1H3,(H,20,21)/t8-,9-,10?,11+,12+/m1/s1
InChIKeyLZLOKAORGKMNMK-XHVBXGQNSA-N
XLogP0.12
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid (CID 68770798) is [1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid is CC[C@H](O)[C@@H]1C[C@H](N)CC[C@@H]1N1CCC(NC(=O)O)C1=O.
What is the InChIKey of [1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid?
The InChIKey is LZLOKAORGKMNMK-XHVBXGQNSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-2-12(18)9-7-8(15)3-4-11(9)17-6-5-10(13(17)19)16-14(20)21/h8-12,16,18H,2-7,15H2,1H3,(H,20,21)/t8-,9-,10?,11+,12+/m1/s1.
What are the key properties of [1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid?
[1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid has a molecular weight of 299.37 g/mol, XLogP of 0.12, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1S,2R,4R)-4-amino-2-[(1S)-1-hydroxypropyl]cyclohexyl]-2-oxopyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 68770798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).