(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid

C14H25N3O4 — CID 107830518

IUPAC(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
SMILESCC1CCCC(NC(=O)N[C@H](CCC(N)=O)C(=O)O)C1C
InChIInChI=1S/C14H25N3O4/c1-8-4-3-5-10(9(8)2)16-14(21)17-11(13(19)20)6-7-12(15)18/h8-11H,3-7H2,1-2H3,(H2,15,18)(H,19,20)(H2,16,17,21)/t8?,9?,10?,11-/m1/s1
InChIKeyKEANREGUAUBBRS-AHELAYONSA-N
MW299.37 g/mol
LogP0.83
Rot. Bonds6

About (2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 107830518) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID107830518
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
SMILESCC1CCCC(NC(=O)N[C@H](CCC(N)=O)C(=O)O)C1C
InChIInChI=1S/C14H25N3O4/c1-8-4-3-5-10(9(8)2)16-14(21)17-11(13(19)20)6-7-12(15)18/h8-11H,3-7H2,1-2H3,(H2,15,18)(H,19,20)(H2,16,17,21)/t8?,9?,10?,11-/m1/s1
InChIKeyKEANREGUAUBBRS-AHELAYONSA-N
XLogP0.83
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61408424
2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084056
(2R)-5-amino-2-[(2-methyloxolan-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 114006113
5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61199710
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 107566972
(2S)-4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 107827757
4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 55173209
(2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid
CID 107175319
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 104937664
(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 104935529
5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 64743920

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid (CID 107830518) is (2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid is CC1CCCC(NC(=O)N[C@H](CCC(N)=O)C(=O)O)C1C.
What is the InChIKey of (2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is KEANREGUAUBBRS-AHELAYONSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-8-4-3-5-10(9(8)2)16-14(21)17-11(13(19)20)6-7-12(15)18/h8-11H,3-7H2,1-2H3,(H2,15,18)(H,19,20)(H2,16,17,21)/t8?,9?,10?,11-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107830518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).