4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid

C15H30N2O4 — CID 64604896

IUPAC4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid
SMILESCOCCC(C)NC(=O)NCCC(CCC(=O)O)C(C)C
InChIInChI=1S/C15H30N2O4/c1-11(2)13(5-6-14(18)19)7-9-16-15(20)17-12(3)8-10-21-4/h11-13H,5-10H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyKVUWKYGQHKDEOW-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.24
Rot. Bonds11

About 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid

4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid (PubChem CID 64604896) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid
PubChem CID64604896
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid
SMILESCOCCC(C)NC(=O)NCCC(CCC(=O)O)C(C)C
InChIInChI=1S/C15H30N2O4/c1-11(2)13(5-6-14(18)19)7-9-16-15(20)17-12(3)8-10-21-4/h11-13H,5-10H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyKVUWKYGQHKDEOW-UHFFFAOYSA-N
XLogP2.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid
CID 64605721
4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]heptanoic acid
CID 64604491
5-(5-methoxypentylcarbamoylamino)hexanoic acid
CID 114131677
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]-5-methylhexanoic acid
CID 64894994
4-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbutanoic acid
CID 80540820
4-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]pentanoic acid
CID 114128588
1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115601463
4-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethyl]-5-methylhexanoic acid
CID 65266918
4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid
CID 65048026
3-(4-methoxybutan-2-ylamino)-3-oxopropanoic acid
CID 64604730
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
(3S)-3-propan-2-ylhexanedioic acid
CID 71391350

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid?
The IUPAC name of 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid (CID 64604896) is 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid.
What is the SMILES notation for 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid?
The canonical SMILES for 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid is COCCC(C)NC(=O)NCCC(CCC(=O)O)C(C)C.
What is the InChIKey of 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid?
The InChIKey is KVUWKYGQHKDEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-11(2)13(5-6-14(18)19)7-9-16-15(20)17-12(3)8-10-21-4/h11-13H,5-10H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid?
4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid has a molecular weight of 302.42 g/mol, XLogP of 2.24, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxybutan-2-ylcarbamoylamino)ethyl]-5-methylhexanoic acid is sourced from PubChem (CID 64604896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).