1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide

C12H21N3O3 — CID 60952992

IUPAC1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)C1(N)CCCCC1
InChIInChI=1S/C12H21N3O3/c13-10(17)9-6-8(16)7-15(9)11(18)12(14)4-2-1-3-5-12/h8-9,16H,1-7,14H2,(H2,13,17)
InChIKeyLRMNLVFOVNWLAI-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.90
Rot. Bonds2

About 1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide

1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 60952992) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID60952992
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)C1(N)CCCCC1
InChIInChI=1S/C12H21N3O3/c13-10(17)9-6-8(16)7-15(9)11(18)12(14)4-2-1-3-5-12/h8-9,16H,1-7,14H2,(H2,13,17)
InChIKeyLRMNLVFOVNWLAI-UHFFFAOYSA-N
XLogP-0.90
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide (CID 60952992) is 1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is LRMNLVFOVNWLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c13-10(17)9-6-8(16)7-15(9)11(18)12(14)4-2-1-3-5-12/h8-9,16H,1-7,14H2,(H2,13,17).
What are the key properties of 1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide?
1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of -0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 60952992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).