2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid

C15H30N2O3 — CID 115431036

IUPAC2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)N(CC(C)C)C(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-7-15(8-2,13(18)19)10-16-14(20)17(12(5)6)9-11(3)4/h11-12H,7-10H2,1-6H3,(H,16,20)(H,18,19)
InChIKeyXWYSBEAYCYVVOR-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.95
Rot. Bonds8

About 2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid

2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid (PubChem CID 115431036) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid
PubChem CID115431036
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)N(CC(C)C)C(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-7-15(8-2,13(18)19)10-16-14(20)17(12(5)6)9-11(3)4/h11-12H,7-10H2,1-6H3,(H,16,20)(H,18,19)
InChIKeyXWYSBEAYCYVVOR-UHFFFAOYSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[[2-cyanopropyl(ethyl)carbamoyl]amino]methyl]-2-ethylbutanoic acid
CID 115431021
2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid
CID 115430777
6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid
CID 55000606
2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
CID 115431007
2-ethyl-2-[[[methyl(2-methylsulfanylethyl)carbamoyl]amino]methyl]butanoic acid
CID 112662693
2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid
CID 112555185
2-[[(2-tert-butylsulfonylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 120533434
2-ethyl-2-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]butanoic acid
CID 115430382
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid
CID 66175740
2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115430301
2-[[[3-(aminomethyl)-5-methylhexanoyl]amino]methyl]-2-ethylbutanoic acid
CID 115430292
2-ethyl-2-[(prop-2-enoylamino)methyl]butanoic acid
CID 115429764

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid (CID 115431036) is 2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid is CCC(CC)(CNC(=O)N(CC(C)C)C(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid?
The InChIKey is XWYSBEAYCYVVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-7-15(8-2,13(18)19)10-16-14(20)17(12(5)6)9-11(3)4/h11-12H,7-10H2,1-6H3,(H,16,20)(H,18,19).
What are the key properties of 2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid?
2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[2-methylpropyl(propan-2-yl)carbamoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 115431036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).