2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid

C10H18N2O3 — CID 175050299

IUPAC2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid
SMILESC=CC(=O)NC(CC)C(N)(CC)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-4-7(12-8(13)5-2)10(11,6-3)9(14)15/h5,7H,2,4,6,11H2,1,3H3,(H,12,13)(H,14,15)
InChIKeyNZSSPBXASNIUCV-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.26
Rot. Bonds6

About 2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid

2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid (PubChem CID 175050299) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid
PubChem CID175050299
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid
SMILESC=CC(=O)NC(CC)C(N)(CC)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-4-7(12-8(13)5-2)10(11,6-3)9(14)15/h5,7H,2,4,6,11H2,1,3H3,(H,12,13)(H,14,15)
InChIKeyNZSSPBXASNIUCV-UHFFFAOYSA-N
XLogP0.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Amino-1-carboxybutan-2-yl)-dimethyl-prop-2-enoylazanium
CID 21262198
(1-Amino-1-carboxybutan-2-yl)-dimethyl-(2-methylprop-2-enoyl)azanium
CID 22244846
(2S)-2-methyl-3-(prop-2-enoylamino)pyrrolidine-2-carboxylic acid
CID 67732998
2-(Dimethylamino)-3-(prop-2-enoylamino)pentanoic acid
CID 87270007
[1-Carboxy-2-(prop-2-enoylamino)butyl]-trimethylazanium
CID 87587833
2-Amino-4-methyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid
CID 134461784
4-[[2-Methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid
CID 135276824
2-Methyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid
CID 167018489
2-Amino-2-ethyl-5-(prop-2-enoylamino)pentanoic acid
CID 175050297
2-Amino-2-(4-aminobutyl)-3-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 21712068
2-Methyl-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]pentanoic acid
CID 43619678
2-[[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2-methylpentanoic acid
CID 43619722

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid?
The IUPAC name of 2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid (CID 175050299) is 2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid is C=CC(=O)NC(CC)C(N)(CC)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid?
The InChIKey is NZSSPBXASNIUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-7(12-8(13)5-2)10(11,6-3)9(14)15/h5,7H,2,4,6,11H2,1,3H3,(H,12,13)(H,14,15).
What are the key properties of 2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid?
2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-3-(prop-2-enoylamino)pentanoic acid is sourced from PubChem (CID 175050299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).