5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid

C13H24N2O4 — CID 62966207

IUPAC5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCCN(CC(C)C)C(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-15(8-9(2)3)13(19)14-11(16)6-10(4)7-12(17)18/h9-10H,5-8H2,1-4H3,(H,17,18)(H,14,16,19)
InChIKeyBMDAOOSQRJKJTA-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.70
Rot. Bonds7

About 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid

5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62966207) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID62966207
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCCN(CC(C)C)C(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-15(8-9(2)3)13(19)14-11(16)6-10(4)7-12(17)18/h9-10H,5-8H2,1-4H3,(H,17,18)(H,14,16,19)
InChIKeyBMDAOOSQRJKJTA-UHFFFAOYSA-N
XLogP1.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62965168
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069914
5-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62966393
5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62964214
(E)-4-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-oxobut-2-enoic acid
CID 43273994
5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 78918801
1-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 59108349
6-[bis(2-methylpropyl)carbamoylamino]-6-oxohexanoic acid
CID 61378859
5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62965679
(2R)-2-[[ethyl(2-methylpropyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976291
5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 55157133
3-methyl-5-(5-methylhexan-2-ylamino)-5-oxopentanoic acid
CID 62966251

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid (CID 62966207) is 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid is CCN(CC(C)C)C(=O)NC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is BMDAOOSQRJKJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-15(8-9(2)3)13(19)14-11(16)6-10(4)7-12(17)18/h9-10H,5-8H2,1-4H3,(H,17,18)(H,14,16,19).
What are the key properties of 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62966207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).