3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid

C10H18N2O3 — CID 43466497

IUPAC3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCCN(C(=O)CNCCC(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-2-12(8-3-4-8)9(13)7-11-6-5-10(14)15/h8,11H,2-7H2,1H3,(H,14,15)
InChIKeyGCCQMBREVTVCHV-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.06
Rot. Bonds7

About 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid

3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 43466497) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID43466497
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCCN(C(=O)CNCCC(=O)O)C1CC1
InChIInChI=1S/C10H18N2O3/c1-2-12(8-3-4-8)9(13)7-11-6-5-10(14)15/h8,11H,2-7H2,1H3,(H,14,15)
InChIKeyGCCQMBREVTVCHV-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid (CID 43466497) is 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid is CCN(C(=O)CNCCC(=O)O)C1CC1.
What is the InChIKey of 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is GCCQMBREVTVCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-12(8-3-4-8)9(13)7-11-6-5-10(14)15/h8,11H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid?
3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43466497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).