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

C11H18N2O4 — CID 62965679

IUPAC5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)N(C)C1CC1
InChIInChI=1S/C11H18N2O4/c1-7(6-10(15)16)5-9(14)12-11(17)13(2)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,15,16)(H,12,14,17)
InChIKeyPCHYLEYDWSBZMI-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.82
Rot. Bonds5

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

5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62965679) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID62965679
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)N(C)C1CC1
InChIInChI=1S/C11H18N2O4/c1-7(6-10(15)16)5-9(14)12-11(17)13(2)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,15,16)(H,12,14,17)
InChIKeyPCHYLEYDWSBZMI-UHFFFAOYSA-N
XLogP0.82
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-[[methyl(thiolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 62966387
5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 78918801
3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 63707561
5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 63536519
5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 55157133
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62966207
5-[[cyclopropyl(methyl)carbamoyl]amino]hexanoic acid
CID 82844825
5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62942041
5-(cyclobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965613
3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 62942046
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61195446
3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107419034

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid (CID 62965679) is 5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NC(=O)N(C)C1CC1.
What is the InChIKey of 5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is PCHYLEYDWSBZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(6-10(15)16)5-9(14)12-11(17)13(2)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,15,16)(H,12,14,17).
What are the key properties of 5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid?
5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 242.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62965679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).