2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid

C10H18N2O3 — CID 174480264

IUPAC2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid
SMILESC=CCC(C)(C(=O)O)N(C)C(=O)C(C)N
InChIInChI=1S/C10H18N2O3/c1-5-6-10(3,9(14)15)12(4)8(13)7(2)11/h5,7H,1,6,11H2,2-4H3,(H,14,15)
InChIKeyXVEJQPNJSUEVRF-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.21
Rot. Bonds5

About 2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid

2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid (PubChem CID 174480264) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid.

Molecular Properties

Compound Name2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid
PubChem CID174480264
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid
SMILESC=CCC(C)(C(=O)O)N(C)C(=O)C(C)N
InChIInChI=1S/C10H18N2O3/c1-5-6-10(3,9(14)15)12(4)8(13)7(2)11/h5,7H,1,6,11H2,2-4H3,(H,14,15)
InChIKeyXVEJQPNJSUEVRF-UHFFFAOYSA-N
XLogP0.21
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-hydroxyethyl(methyl)amino]-2-methylpent-4-enoic acid
CID 175373751
2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid
CID 78917580
(2S,3S)-2-amino-3-methylhex-5-en-3-ol;2,2,2-trifluoroacetic acid
CID 87235210
(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid
CID 10866451
2-methyl-2-(tribromomethyl)pent-4-enoic acid
CID 118234821
(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide
CID 119303350
(3E)-6-amino-6-methylnona-3,8-dienoic acid
CID 169196246
1-aminoethyl 2-methyl-2-prop-2-enylpent-4-enoate
CID 174488655
(1-amino-1-carboxybut-3-enyl)-trimethylazanium
CID 87196062
(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119303349
(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 104869516
(5R)-7-methyloct-1-ene-3,3,4-tricarboxylic acid
CID 54458829

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid?
The IUPAC name of 2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid (CID 174480264) is 2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid.
What is the SMILES notation for 2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid?
The canonical SMILES for 2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid is C=CCC(C)(C(=O)O)N(C)C(=O)C(C)N.
What is the InChIKey of 2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid?
The InChIKey is XVEJQPNJSUEVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-5-6-10(3,9(14)15)12(4)8(13)7(2)11/h5,7H,1,6,11H2,2-4H3,(H,14,15).
What are the key properties of 2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid?
2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminopropanoyl(methyl)amino]-2-methylpent-4-enoic acid is sourced from PubChem (CID 174480264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).