5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid

C12H21NO4 — CID 107214806

IUPAC5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H21NO4/c1-8(7-12(16)17)6-11(15)13-9-4-2-3-5-10(9)14/h8-10,14H,2-7H2,1H3,(H,13,15)(H,16,17)/t8?,9-,10-/m0/s1
InChIKeyZUMFFMUWBFNIDC-AGROOBSYSA-N
MW243.30 g/mol
LogP0.91
Rot. Bonds5

About 5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid

5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 107214806) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID107214806
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H21NO4/c1-8(7-12(16)17)6-11(15)13-9-4-2-3-5-10(9)14/h8-10,14H,2-7H2,1H3,(H,13,15)(H,16,17)/t8?,9-,10-/m0/s1
InChIKeyZUMFFMUWBFNIDC-AGROOBSYSA-N
XLogP0.91
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965613
5-[(2-cyanocyclopentyl)amino]-3-methyl-5-oxopentanoic acid
CID 62961989
4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 107214845
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714
3-amino-4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4-oxobutanoic acid
CID 107222087
5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 62964927
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221628
2-[2-[(2-hydroxycyclohexyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569846
N-[(1R,2R)-2-hydroxycyclohexyl]-3-propan-2-yloxypropanamide
CID 97245059
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid (CID 107214806) is 5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is ZUMFFMUWBFNIDC-AGROOBSYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(7-12(16)17)6-11(15)13-9-4-2-3-5-10(9)14/h8-10,14H,2-7H2,1H3,(H,13,15)(H,16,17)/t8?,9-,10-/m0/s1.
What are the key properties of 5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid?
5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 243.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 107214806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).