(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid

C14H26N2O3 — CID 107566467

IUPAC(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NC1CCC(CC)CC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-5-12(13(17)18)16-14(19)15-11-8-6-10(4-2)7-9-11/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)/t10?,11?,12-/m0/s1
InChIKeyRQBCPTYWUDWMNB-MCIGGMRASA-N
MW270.37 g/mol
LogP2.51
Rot. Bonds6

About (2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid

(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid (PubChem CID 107566467) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid
PubChem CID107566467
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NC1CCC(CC)CC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-3-5-12(13(17)18)16-14(19)15-11-8-6-10(4-2)7-9-11/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)/t10?,11?,12-/m0/s1
InChIKeyRQBCPTYWUDWMNB-MCIGGMRASA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxypropanoic acid
CID 54955301
2-[(4-ethylcyclohexyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61468068
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 107566455
2-(cyclopropylcarbamoylamino)-4-methylsulfonylbutanoic acid
CID 61188645
2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732149
2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61468066
(2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid
CID 78976074
3-[(4-ethylcyclohexyl)carbamoylamino]butanoic acid
CID 54955248
2-[(4-ethylcyclohexyl)carbamoylamino]-3-methylpentanoic acid
CID 61468155
(2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 107566680

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid (CID 107566467) is (2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid is CCC[C@H](NC(=O)NC1CCC(CC)CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid?
The InChIKey is RQBCPTYWUDWMNB-MCIGGMRASA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-5-12(13(17)18)16-14(19)15-11-8-6-10(4-2)7-9-11/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)/t10?,11?,12-/m0/s1.
What are the key properties of (2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid?
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).