2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid

C11H17NO5 — CID 82323973

IUPAC2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CCC(=O)O)C(=O)C1CC1
InChIInChI=1S/C11H17NO5/c1-2-8(11(16)17)12(6-5-9(13)14)10(15)7-3-4-7/h7-8H,2-6H2,1H3,(H,13,14)(H,16,17)
InChIKeyIFFSWDPSPYDGGX-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.56
Rot. Bonds7

About 2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid

2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid (PubChem CID 82323973) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid
PubChem CID82323973
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CCC(=O)O)C(=O)C1CC1
InChIInChI=1S/C11H17NO5/c1-2-8(11(16)17)12(6-5-9(13)14)10(15)7-3-4-7/h7-8H,2-6H2,1H3,(H,13,14)(H,16,17)
InChIKeyIFFSWDPSPYDGGX-UHFFFAOYSA-N
XLogP0.56
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid
CID 82324036
2-[2-carboxyethyl(3-methylbut-2-enoyl)amino]butanoic acid
CID 82326197
2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid
CID 82324234
2-[2-carboxyethyl(propan-2-yl)amino]butanoic acid
CID 82328618
3-[butyl(cyclopropanecarbonyl)amino]propanoic acid
CID 82323933
3-[(4-tert-butylcyclohexanecarbonyl)-ethylamino]propanoic acid
CID 61007609
3-[cyclopropanecarbonyl(2-methoxyethyl)amino]propanoic acid
CID 82323958
3-[cyclohexanecarbonyl(propyl)amino]propanoic acid
CID 82324168
2-[2-carboxyethyl-[3-(dimethylamino)propyl]amino]butanoic acid
CID 82330401
N-(2-chloroethyl)-N-pentan-3-ylcyclopentanecarboxamide
CID 63396070
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034
3-[butan-2-yl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 82324204

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid?
The IUPAC name of 2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid (CID 82323973) is 2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid?
The canonical SMILES for 2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid is CCC(C(=O)O)N(CCC(=O)O)C(=O)C1CC1.
What is the InChIKey of 2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid?
The InChIKey is IFFSWDPSPYDGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-2-8(11(16)17)12(6-5-9(13)14)10(15)7-3-4-7/h7-8H,2-6H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid?
2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid has a molecular weight of 243.26 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxyethyl(cyclopropanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 82323973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).