3-(2-acetamidoethylamino)butanoic acid

C8H16N2O3 — CID 43552761

IUPAC3-(2-acetamidoethylamino)butanoic acid
SMILESCC(=O)NCCNC(C)CC(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(5-8(12)13)9-3-4-10-7(2)11/h6,9H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeySYGYWFPLNVKQIO-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.42
Rot. Bonds6

About 3-(2-acetamidoethylamino)butanoic acid

3-(2-acetamidoethylamino)butanoic acid (PubChem CID 43552761) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(2-acetamidoethylamino)butanoic acid.

Molecular Properties

Compound Name3-(2-acetamidoethylamino)butanoic acid
PubChem CID43552761
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-(2-acetamidoethylamino)butanoic acid
SMILESCC(=O)NCCNC(C)CC(=O)O
InChIInChI=1S/C8H16N2O3/c1-6(5-8(12)13)9-3-4-10-7(2)11/h6,9H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeySYGYWFPLNVKQIO-UHFFFAOYSA-N
XLogP-0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.42
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

N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide
CID 103387588
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]propanoic acid
CID 43467117
2-[2-[2-(1-carboxypropan-2-ylamino)ethylamino]ethylamino]butanedioic acid
CID 59510977
3-(undecylamino)butanoic acid
CID 57087674
2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
CID 43420238
N-(3-acetamidobutyl)acetamide
CID 118918333
3-(pent-3-ynylamino)butanoic acid
CID 116643865
3-[(5-amino-5-oxopentyl)amino]butanoic acid
CID 106237220
3-[[(Z)-octadec-9-enyl]amino]butanoic acid
CID 88624856
N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
CID 28684616
3-[3-(methanesulfonamido)propylamino]butanoic acid
CID 106336520
4-(3-acetamidopropanoylamino)-3-methylbutanoic acid
CID 81063631

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamidoethylamino)butanoic acid?
The IUPAC name of 3-(2-acetamidoethylamino)butanoic acid (CID 43552761) is 3-(2-acetamidoethylamino)butanoic acid.
What is the SMILES notation for 3-(2-acetamidoethylamino)butanoic acid?
The canonical SMILES for 3-(2-acetamidoethylamino)butanoic acid is CC(=O)NCCNC(C)CC(=O)O.
What is the InChIKey of 3-(2-acetamidoethylamino)butanoic acid?
The InChIKey is SYGYWFPLNVKQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(5-8(12)13)9-3-4-10-7(2)11/h6,9H,3-5H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 3-(2-acetamidoethylamino)butanoic acid?
3-(2-acetamidoethylamino)butanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamidoethylamino)butanoic acid is sourced from PubChem (CID 43552761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).