(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid

C14H25N3O4 — CID 62406706

IUPAC(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(NC(=O)N[C@@H](CCC(N)=O)C(=O)O)C1CCCCC1
InChIInChI=1S/C14H25N3O4/c1-9(10-5-3-2-4-6-10)16-14(21)17-11(13(19)20)7-8-12(15)18/h9-11H,2-8H2,1H3,(H2,15,18)(H,19,20)(H2,16,17,21)/t9?,11-/m0/s1
InChIKeyUEAGAXJPGRSGLC-UMJHXOGRSA-N
MW299.37 g/mol
LogP0.97
Rot. Bonds7

About (2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid

(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 62406706) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid
PubChem CID62406706
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid
SMILESCC(NC(=O)N[C@@H](CCC(N)=O)C(=O)O)C1CCCCC1
InChIInChI=1S/C14H25N3O4/c1-9(10-5-3-2-4-6-10)16-14(21)17-11(13(19)20)7-8-12(15)18/h9-11H,2-8H2,1H3,(H2,15,18)(H,19,20)(H2,16,17,21)/t9?,11-/m0/s1
InChIKeyUEAGAXJPGRSGLC-UMJHXOGRSA-N
XLogP0.97
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 107830570
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(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid
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2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
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CID 61230073
(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 104871385
5-amino-2-(2-cyclopropylpropylcarbamoylamino)-5-oxopentanoic acid
CID 113363508
(2S)-5-amino-2-(1-cyclopropylbutan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 63996158
(2S)-5-amino-2-(butan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61189349
5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61199710
5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61408424

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid (CID 62406706) is (2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid is CC(NC(=O)N[C@@H](CCC(N)=O)C(=O)O)C1CCCCC1.
What is the InChIKey of (2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is UEAGAXJPGRSGLC-UMJHXOGRSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-9(10-5-3-2-4-6-10)16-14(21)17-11(13(19)20)7-8-12(15)18/h9-11H,2-8H2,1H3,(H2,15,18)(H,19,20)(H2,16,17,21)/t9?,11-/m0/s1.
What are the key properties of (2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid?
(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.97, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 62406706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).