2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid

C12H19NO4 — CID 120702696

IUPAC2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C1CC1C1CC1)C(=O)O
InChIInChI=1S/C12H19NO4/c1-17-5-4-10(12(15)16)13-11(14)9-6-8(9)7-2-3-7/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyDLOPHOFLIBPLQR-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.64
Rot. Bonds7

About 2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid

2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid (PubChem CID 120702696) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid
PubChem CID120702696
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)C1CC1C1CC1)C(=O)O
InChIInChI=1S/C12H19NO4/c1-17-5-4-10(12(15)16)13-11(14)9-6-8(9)7-2-3-7/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyDLOPHOFLIBPLQR-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 64824444
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
2-[(2-cyclohexylcyclopropanecarbonyl)amino]butanoic acid
CID 119223837
2-[(4-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 55076337
(2R)-2-[(2-cyclohexylcyclopropanecarbonyl)amino]-4-methylpentanoic acid
CID 119363265
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 107175397
2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 62478946
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62478644
cis-(1R,2S)-2-cyclopropyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 171756340
(2R)-2-[(2-cyclopropylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 119369099
4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 120703250
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786792

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid (CID 120702696) is 2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)C1CC1C1CC1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid?
The InChIKey is DLOPHOFLIBPLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-17-5-4-10(12(15)16)13-11(14)9-6-8(9)7-2-3-7/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid?
2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid has a molecular weight of 241.29 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylcyclopropanecarbonyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 120702696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).