4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid

C16H29N3O4 — CID 141016943

IUPAC4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid
SMILESNC(CC1CCCCC1)C(O)C(=O)NC1CCN(C(=O)O)CC1
InChIInChI=1S/C16H29N3O4/c17-13(10-11-4-2-1-3-5-11)14(20)15(21)18-12-6-8-19(9-7-12)16(22)23/h11-14,20H,1-10,17H2,(H,18,21)(H,22,23)
InChIKeyAFOZQIGCNHVQEX-UHFFFAOYSA-N
MW327.43 g/mol
LogP0.90
Rot. Bonds5

About 4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid

4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid (PubChem CID 141016943) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid
PubChem CID141016943
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Name4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid
SMILESNC(CC1CCCCC1)C(O)C(=O)NC1CCN(C(=O)O)CC1
InChIInChI=1S/C16H29N3O4/c17-13(10-11-4-2-1-3-5-11)14(20)15(21)18-12-6-8-19(9-7-12)16(22)23/h11-14,20H,1-10,17H2,(H,18,21)(H,22,23)
InChIKeyAFOZQIGCNHVQEX-UHFFFAOYSA-N
XLogP0.90
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid with MolForge

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Related Compounds

3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide
CID 142647883
(3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 86741929
(2S)-2-amino-3-cyclopentyl-N-cyclopropylpropanamide;hydrochloride
CID 118704811
3-amino-N-chloro-4-cyclopropyl-2-hydroxybutanamide
CID 171058651
4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373252
(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide
CID 54413400
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate
CID 70097268
4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
CID 137373042
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride
CID 70063212
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid (CID 141016943) is 4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid is NC(CC1CCCCC1)C(O)C(=O)NC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid?
The InChIKey is AFOZQIGCNHVQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c17-13(10-11-4-2-1-3-5-11)14(20)15(21)18-12-6-8-19(9-7-12)16(22)23/h11-14,20H,1-10,17H2,(H,18,21)(H,22,23).
What are the key properties of 4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid?
4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid has a molecular weight of 327.43 g/mol, XLogP of 0.90, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 141016943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).