3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid

C10H17NO3 — CID 103925566

IUPAC3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid
SMILESCC=C(C)C(=O)N(CC)CCC(=O)O
InChIInChI=1S/C10H17NO3/c1-4-8(3)10(14)11(5-2)7-6-9(12)13/h4H,5-7H2,1-3H3,(H,12,13)
InChIKeySQFLVIMGPNLWLX-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.28
Rot. Bonds5

About 3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid

3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid (PubChem CID 103925566) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid
PubChem CID103925566
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid
SMILESCC=C(C)C(=O)N(CC)CCC(=O)O
InChIInChI=1S/C10H17NO3/c1-4-8(3)10(14)11(5-2)7-6-9(12)13/h4H,5-7H2,1-3H3,(H,12,13)
InChIKeySQFLVIMGPNLWLX-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007980
3-[ethoxycarbonyl(ethyl)amino]propanoic acid
CID 22758760
3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid
CID 119191273
N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide
CID 173404632
3-[ethyl(propylcarbamoyl)amino]propanoic acid
CID 61007804
2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid
CID 61021093
3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid
CID 62328666
(E)-N-ethyl-N-[2-[[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-methylamino]ethyl]-2-methylbut-2-enamide
CID 129209911
3-amino-N,N-diethyl-2-methylprop-2-enamide
CID 173332557
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
3-[ethyl-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 61008451
3-[(4-bromobenzoyl)-ethylamino]propanoic acid
CID 61007317

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid (CID 103925566) is 3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid is CC=C(C)C(=O)N(CC)CCC(=O)O.
What is the InChIKey of 3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid?
The InChIKey is SQFLVIMGPNLWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-8(3)10(14)11(5-2)7-6-9(12)13/h4H,5-7H2,1-3H3,(H,12,13).
What are the key properties of 3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid?
3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid is sourced from PubChem (CID 103925566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).