4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid

C15H28N2O4 — CID 103158823

IUPAC4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid
SMILESCCC1CCC(N(C)C(=O)NCC(CC(=O)O)OC)CC1
InChIInChI=1S/C15H28N2O4/c1-4-11-5-7-12(8-6-11)17(2)15(20)16-10-13(21-3)9-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyUKPZBFVODSTXAM-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.09
Rot. Bonds7

About 4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid

4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid (PubChem CID 103158823) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid
PubChem CID103158823
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid
SMILESCCC1CCC(N(C)C(=O)NCC(CC(=O)O)OC)CC1
InChIInChI=1S/C15H28N2O4/c1-4-11-5-7-12(8-6-11)17(2)15(20)16-10-13(21-3)9-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyUKPZBFVODSTXAM-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66166749
2-[[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]methyl]butanoic acid
CID 65223298
4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid
CID 103156988
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid
CID 103160140
(2S)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 61449453
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 80756492
(2S)-4-amino-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63718119
4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
CID 103153368
3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 103158828
3-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]pentanoic acid
CID 81069336
(2R)-2-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107826727
3-[(4-ethylcyclohexyl)-methylamino]butanoic acid
CID 61449261

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid (CID 103158823) is 4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid is CCC1CCC(N(C)C(=O)NCC(CC(=O)O)OC)CC1.
What is the InChIKey of 4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid?
The InChIKey is UKPZBFVODSTXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-11-5-7-12(8-6-11)17(2)15(20)16-10-13(21-3)9-14(18)19/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid?
4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid has a molecular weight of 300.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethylcyclohexyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103158823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).