4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid

C14H26N2O4 — CID 63244716

IUPAC4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
SMILESCOCCC(NC(=O)NCC1CCC(C)CC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-10-3-5-11(6-4-10)9-15-14(19)16-12(13(17)18)7-8-20-2/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyOLBQSKMCRSNKRM-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.60
Rot. Bonds7

About 4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid

4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid (PubChem CID 63244716) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
PubChem CID63244716
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
SMILESCOCCC(NC(=O)NCC1CCC(C)CC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-10-3-5-11(6-4-10)9-15-14(19)16-12(13(17)18)7-8-20-2/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyOLBQSKMCRSNKRM-UHFFFAOYSA-N
XLogP1.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244717
(2R)-2-[(4-methylcyclohexyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910301
4-methoxy-2-(thiolan-2-ylmethylcarbamoylamino)butanoic acid
CID 80586596
(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid
CID 61183186
(2S)-2-(thian-4-ylmethylcarbamoylamino)pentanoic acid
CID 107567647
2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid
CID 61181267
2-(cyclohex-3-en-1-ylmethylcarbamoylamino)-5-methoxypentanoic acid
CID 81085468
(2R)-2-(oxan-4-ylmethylcarbamoylamino)pentanoic acid
CID 107567009
(2R)-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
CID 107567070
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
4-methoxy-2-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 55076531
2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 63833349

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid (CID 63244716) is 4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid is COCCC(NC(=O)NCC1CCC(C)CC1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid?
The InChIKey is OLBQSKMCRSNKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10-3-5-11(6-4-10)9-15-14(19)16-12(13(17)18)7-8-20-2/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid?
4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 63244716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).