3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid

C8H13NO4 — CID 60828272

IUPAC3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
SMILESCOC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C8H13NO4/c1-13-8(12)9(6-2-3-6)5-4-7(10)11/h6H,2-5H2,1H3,(H,10,11)
InChIKeyLSTTUSKIBACWAV-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.69
Rot. Bonds4

About 3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid

3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid (PubChem CID 60828272) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
PubChem CID60828272
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
SMILESCOC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C8H13NO4/c1-13-8(12)9(6-2-3-6)5-4-7(10)11/h6H,2-5H2,1H3,(H,10,11)
InChIKeyLSTTUSKIBACWAV-UHFFFAOYSA-N
XLogP0.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
methyl N-(3-aminopropyl)-N-cyclopropylcarbamate
CID 43137085
3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid
CID 103018270
3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034
3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid
CID 115730536
3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid
CID 61198345
3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
CID 61429269
3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
3-[cyclopropyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 65048180
3-[cyclopropyl-[(2-methoxycyclopentyl)carbamoyl]amino]propanoic acid
CID 62088099

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid (CID 60828272) is 3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid is COC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid?
The InChIKey is LSTTUSKIBACWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-13-8(12)9(6-2-3-6)5-4-7(10)11/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of 3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid?
3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid has a molecular weight of 187.19 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid is sourced from PubChem (CID 60828272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).