4-[3-(ethylamino)propanoylamino]butanoic acid

C9H18N2O3 — CID 62835343

IUPAC4-[3-(ethylamino)propanoylamino]butanoic acid
SMILESCCNCCC(=O)NCCCC(=O)O
InChIInChI=1S/C9H18N2O3/c1-2-10-7-5-8(12)11-6-3-4-9(13)14/h10H,2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyKQDIKPWQUVSLRJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.03
Rot. Bonds8

About 4-[3-(ethylamino)propanoylamino]butanoic acid

4-[3-(ethylamino)propanoylamino]butanoic acid (PubChem CID 62835343) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-[3-(ethylamino)propanoylamino]butanoic acid.

Molecular Properties

Compound Name4-[3-(ethylamino)propanoylamino]butanoic acid
PubChem CID62835343
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-[3-(ethylamino)propanoylamino]butanoic acid
SMILESCCNCCC(=O)NCCCC(=O)O
InChIInChI=1S/C9H18N2O3/c1-2-10-7-5-8(12)11-6-3-4-9(13)14/h10H,2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyKQDIKPWQUVSLRJ-UHFFFAOYSA-N
XLogP-0.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.03
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

6-[3-(ethylamino)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127
4-(tridecanoylamino)butanoic acid
CID 164851630
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide
CID 62836694
N-(3-ethoxypropyl)-3-(ethylamino)propanamide
CID 62832106
4-(ethylamino)-N-propylbutanamide
CID 168958611
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-[3-(ethylamino)propyl]pentanamide;molecular hydrogen
CID 171627803
4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61157472
10-(ethylamino)decanoic acid
CID 57308942
16-(butanoylamino)hexadecanoic acid
CID 118711043
6-(hexylamino)-6-oxohexanoic acid
CID 22448385

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)propanoylamino]butanoic acid?
The IUPAC name of 4-[3-(ethylamino)propanoylamino]butanoic acid (CID 62835343) is 4-[3-(ethylamino)propanoylamino]butanoic acid.
What is the SMILES notation for 4-[3-(ethylamino)propanoylamino]butanoic acid?
The canonical SMILES for 4-[3-(ethylamino)propanoylamino]butanoic acid is CCNCCC(=O)NCCCC(=O)O.
What is the InChIKey of 4-[3-(ethylamino)propanoylamino]butanoic acid?
The InChIKey is KQDIKPWQUVSLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-10-7-5-8(12)11-6-3-4-9(13)14/h10H,2-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-[3-(ethylamino)propanoylamino]butanoic acid?
4-[3-(ethylamino)propanoylamino]butanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)propanoylamino]butanoic acid is sourced from PubChem (CID 62835343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).