2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid

C15H30N2O3 — CID 61437733

IUPAC2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCC(CC)CN(CC)C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-6-12(7-2)10-17(8-3)15(20)16-13(14(18)19)9-11(4)5/h11-13H,6-10H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyGCVWTMGBFJUGAG-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.95
Rot. Bonds9

About 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid

2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 61437733) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID61437733
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCC(CC)CN(CC)C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-6-12(7-2)10-17(8-3)15(20)16-13(14(18)19)9-11(4)5/h11-13H,6-10H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyGCVWTMGBFJUGAG-UHFFFAOYSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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

(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976291
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976504
2-[[butyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61185864
(2S)-2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61438075
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-3-hydroxybutanoic acid
CID 61437732
(2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976183
(2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
CID 107567246
(2S)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 107481610
2-(dimethylcarbamoylamino)-4-methylpentanoic acid
CID 61194019
(2S)-2-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 78918601
(2S)-2-(3-ethylpentanoylamino)-4-methylpentanoic acid
CID 119361583

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid (CID 61437733) is 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid is CCC(CC)CN(CC)C(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is GCVWTMGBFJUGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-12(7-2)10-17(8-3)15(20)16-13(14(18)19)9-11(4)5/h11-13H,6-10H2,1-5H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid?
2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 61437733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).