3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid

C8H14N2O3 — CID 43466674

IUPAC3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid
SMILESO=C(O)CCNCC(=O)NC1CC1
InChIInChI=1S/C8H14N2O3/c11-7(10-6-1-2-6)5-9-4-3-8(12)13/h6,9H,1-5H2,(H,10,11)(H,12,13)
InChIKeyYGPCCSAQUGYJKQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.67
Rot. Bonds6

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

3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 43466674) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID43466674
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid
SMILESO=C(O)CCNCC(=O)NC1CC1
InChIInChI=1S/C8H14N2O3/c11-7(10-6-1-2-6)5-9-4-3-8(12)13/h6,9H,1-5H2,(H,10,11)(H,12,13)
InChIKeyYGPCCSAQUGYJKQ-UHFFFAOYSA-N
XLogP-0.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid
CID 43473310
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetic acid
CID 43466149
3-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466548
3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466279
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 62325687
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-cyclopropyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 113268579
2-(3-aminopropylamino)-N-cyclopropylacetamide
CID 62274184
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanamide
CID 43553526
N-cyclopropyl-3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 62626302
N-cyclopropyl-3-(2-methylidenebutylamino)propanamide
CID 79394684
N-(4-methylcyclohexyl)-2-(propylamino)acetamide
CID 60671942

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid (CID 43466674) is 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid is O=C(O)CCNCC(=O)NC1CC1.
What is the InChIKey of 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is YGPCCSAQUGYJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c11-7(10-6-1-2-6)5-9-4-3-8(12)13/h6,9H,1-5H2,(H,10,11)(H,12,13).
What are the key properties of 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid?
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43466674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).