4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid

C12H22N2O4 — CID 81069043

IUPAC4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCOCCN(C(=O)NCC(C)CC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O4/c1-9(7-11(15)16)8-13-12(17)14(5-6-18-2)10-3-4-10/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyLWWNROWWPXLJTD-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.92
Rot. Bonds8

About 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid

4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid (PubChem CID 81069043) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid
PubChem CID81069043
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid
SMILESCOCCN(C(=O)NCC(C)CC(=O)O)C1CC1
InChIInChI=1S/C12H22N2O4/c1-9(7-11(15)16)8-13-12(17)14(5-6-18-2)10-3-4-10/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyLWWNROWWPXLJTD-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81084471
(2S)-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305201
(2S)-2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61455510
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-ethoxybutanoic acid
CID 114227148
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-3-methoxybutanoic acid
CID 103160140
6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287692
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61452623
3-[cyclopropyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 65048180
5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61452865
2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 61455785
4-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 81069035
4-[bis(2-methoxyethyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158774

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid (CID 81069043) is 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid is COCCN(C(=O)NCC(C)CC(=O)O)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid?
The InChIKey is LWWNROWWPXLJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(7-11(15)16)8-13-12(17)14(5-6-18-2)10-3-4-10/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid?
4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 81069043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).