5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid

C12H20N2O5 — CID 61452865

IUPAC5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCOCCN(C(=O)NC(=O)CCCC(=O)O)C1CC1
InChIInChI=1S/C12H20N2O5/c1-19-8-7-14(9-5-6-9)12(18)13-10(15)3-2-4-11(16)17/h9H,2-8H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyFUVNGRWDIIFYMR-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.59
Rot. Bonds8

About 5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid

5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 61452865) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID61452865
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCOCCN(C(=O)NC(=O)CCCC(=O)O)C1CC1
InChIInChI=1S/C12H20N2O5/c1-19-8-7-14(9-5-6-9)12(18)13-10(15)3-2-4-11(16)17/h9H,2-8H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyFUVNGRWDIIFYMR-UHFFFAOYSA-N
XLogP0.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61428231
3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 61452624
6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287692
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61452623
5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid
CID 54875063
2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 61455785
2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81084471
4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069043
6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 43447313
4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452845
N-cyclopropyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79203731
2-[carboxymethyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 63645629

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid (CID 61452865) is 5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid is COCCN(C(=O)NC(=O)CCCC(=O)O)C1CC1.
What is the InChIKey of 5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is FUVNGRWDIIFYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-19-8-7-14(9-5-6-9)12(18)13-10(15)3-2-4-11(16)17/h9H,2-8H2,1H3,(H,16,17)(H,13,15,18).
What are the key properties of 5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid?
5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 272.30 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 61452865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).