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

Analyze 1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-1-(1-aminocyclohexanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844209
(2S,4R)-1-(4-aminooxane-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 115294948
1-[4-(aminomethyl)oxane-4-carbonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115439295
(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
CID 45116064
4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
CID 64591082
4-hydroxy-1-(1-methylcyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 106826144
(2S)-1-[1-(aminomethyl)cycloheptanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115443975
(2S,4S)-1-[1-(aminomethyl)cyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115437924
(1-aminocyclohexyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone
CID 119302371
(2R,4R)-1-(3-aminooxolane-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64892840
(2S)-1-[2-(1-aminocyclohexyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64677366
(2R,4R)-1-[2-(1-aminocyclopentyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000054

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).