4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid

C13H24N2O4 — CID 64890671

IUPAC4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C13H24N2O4/c14-11(6-7-12(17)18)13(19)15(8-9-16)10-4-2-1-3-5-10/h10-11,16H,1-9,14H2,(H,17,18)
InChIKeyAGXIBMWUMMRBGE-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.33
Rot. Bonds7

About 4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid

4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid (PubChem CID 64890671) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
PubChem CID64890671
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C13H24N2O4/c14-11(6-7-12(17)18)13(19)15(8-9-16)10-4-2-1-3-5-10/h10-11,16H,1-9,14H2,(H,17,18)
InChIKeyAGXIBMWUMMRBGE-UHFFFAOYSA-N
XLogP0.33
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 64890682
4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid
CID 64894822
(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 78985362
(2S)-2-amino-N-cyclopropyl-N-(2-hydroxyethyl)hexanamide
CID 103951026
2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 60952653
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131
(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 113353384
3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid
CID 82323613
4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid
CID 64895995
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)propanamide
CID 60949797
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 102861908
N-cyclohexyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-(trifluoromethyl)propanamide
CID 103310161

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid (CID 64890671) is 4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)N(CCO)C1CCCCC1.
What is the InChIKey of 4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid?
The InChIKey is AGXIBMWUMMRBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c14-11(6-7-12(17)18)13(19)15(8-9-16)10-4-2-1-3-5-10/h10-11,16H,1-9,14H2,(H,17,18).
What are the key properties of 4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid?
4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64890671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).