3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid

C8H13NO3 — CID 62231745

IUPAC3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
SMILESCCN(C(=O)CC(=O)O)C1CC1
InChIInChI=1S/C8H13NO3/c1-2-9(6-3-4-6)7(10)5-8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyLDYAECWJZGTPCV-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.47
Rot. Bonds4

About 3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid

3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid (PubChem CID 62231745) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
PubChem CID62231745
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
SMILESCCN(C(=O)CC(=O)O)C1CC1
InChIInChI=1S/C8H13NO3/c1-2-9(6-3-4-6)7(10)5-8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyLDYAECWJZGTPCV-UHFFFAOYSA-N
XLogP0.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[carboxymethyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 55245176
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465978
2-[cyclopropyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 54945400
N-cyclohexyl-N-ethyl-2-(ethylamino)acetamide
CID 60686638
4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473494
3-[tert-butyl-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 60833671
N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide
CID 20752264
N-(4-aminocyclohexyl)-2-cyclohexyl-N-ethylacetamide
CID 79115417
3-amino-N-cyclohexyl-N-ethylpropanamide
CID 16786481
N-cyclopropyl-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 60843358
2-(butan-2-ylamino)-N-cyclohexyl-N-ethylacetamide
CID 60684282
N-cyclopropyl-3-(cyclopropylamino)-N-ethylpropanamide
CID 60841219

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid?
The IUPAC name of 3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid (CID 62231745) is 3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid is CCN(C(=O)CC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid?
The InChIKey is LDYAECWJZGTPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-9(6-3-4-6)7(10)5-8(11)12/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid?
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 62231745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).