(2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid

C15H28N2O3 — CID 107567070

IUPAC(2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCCC1CCC(C)CC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-3-4-13(14(18)19)17-15(20)16-10-9-12-7-5-11(2)6-8-12/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t11?,12?,13-/m1/s1
InChIKeyYPRMJNZBLDVPHV-WXRRBKDZSA-N
MW284.40 g/mol
LogP2.76
Rot. Bonds7

About (2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid

(2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid (PubChem CID 107567070) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
PubChem CID107567070
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCCC1CCC(C)CC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-3-4-13(14(18)19)17-15(20)16-10-9-12-7-5-11(2)6-8-12/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t11?,12?,13-/m1/s1
InChIKeyYPRMJNZBLDVPHV-WXRRBKDZSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid
CID 107827982
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
(2S)-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]hexanoic acid
CID 107146159
(2R)-2-(2-cyclopropylethylcarbamoylamino)hexanedioic acid
CID 107840303
(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid
CID 107567632
4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244717
(2S)-2-(2-cyclopentylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 61205924
2-(3-cyclopropylpropanoylamino)pentanoic acid
CID 115923947
(2S)-2-(3,3-dimethylbutylcarbamoylamino)pentanoic acid
CID 94208084
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 104909955
(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid
CID 107566228

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid (CID 107567070) is (2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NCCC1CCC(C)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is YPRMJNZBLDVPHV-WXRRBKDZSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-4-13(14(18)19)17-15(20)16-10-9-12-7-5-11(2)6-8-12/h11-13H,3-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t11?,12?,13-/m1/s1.
What are the key properties of (2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid?
(2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107567070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).