5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid

C15H26N2O4 — CID 78918801

IUPAC5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(C)CCN(C(=O)NC(=O)CC(C)CC(=O)O)C1CC1
InChIInChI=1S/C15H26N2O4/c1-10(2)6-7-17(12-4-5-12)15(21)16-13(18)8-11(3)9-14(19)20/h10-12H,4-9H2,1-3H3,(H,19,20)(H,16,18,21)
InChIKeyOVDVAWAFRURBJN-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.23
Rot. Bonds8

About 5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid

5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 78918801) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID78918801
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(C)CCN(C(=O)NC(=O)CC(C)CC(=O)O)C1CC1
InChIInChI=1S/C15H26N2O4/c1-10(2)6-7-17(12-4-5-12)15(21)16-13(18)8-11(3)9-14(19)20/h10-12H,4-9H2,1-3H3,(H,19,20)(H,16,18,21)
InChIKeyOVDVAWAFRURBJN-UHFFFAOYSA-N
XLogP2.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62965679
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylbutanoic acid
CID 78974415
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62966207
(2R)-2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976332
5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 63536519
2-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methylpentanoic acid
CID 78974444
3-methyl-5-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 62966387
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 79004991
3-[cyclopropyl(5-methylhexylcarbamoyl)amino]propanoic acid
CID 113287750
2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 78947635
3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 63707561

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid (CID 78918801) is 5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid is CC(C)CCN(C(=O)NC(=O)CC(C)CC(=O)O)C1CC1.
What is the InChIKey of 5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is OVDVAWAFRURBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(2)6-7-17(12-4-5-12)15(21)16-13(18)8-11(3)9-14(19)20/h10-12H,4-9H2,1-3H3,(H,19,20)(H,16,18,21).
What are the key properties of 5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 298.38 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 78918801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).