(E)-4-(tert-butylamino)-2-methylpent-2-enoic acid

C10H19NO2 — CID 18679977

IUPAC(E)-4-(tert-butylamino)-2-methylpent-2-enoic acid
SMILESC/C(=C\C(C)NC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(9(12)13)6-8(2)11-10(3,4)5/h6,8,11H,1-5H3,(H,12,13)/b7-6+
InChIKeyDQACASICKQGZRQ-VOTSOKGWSA-N
MW185.27 g/mol
LogP1.79
Rot. Bonds3

About (E)-4-(tert-butylamino)-2-methylpent-2-enoic acid

(E)-4-(tert-butylamino)-2-methylpent-2-enoic acid (PubChem CID 18679977) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-4-(tert-butylamino)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(tert-butylamino)-2-methylpent-2-enoic acid
PubChem CID18679977
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-4-(tert-butylamino)-2-methylpent-2-enoic acid
SMILESC/C(=C\C(C)NC(C)(C)C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7(9(12)13)6-8(2)11-10(3,4)5/h6,8,11H,1-5H3,(H,12,13)/b7-6+
InChIKeyDQACASICKQGZRQ-VOTSOKGWSA-N
XLogP1.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid
CID 15125944
2-Methyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
CID 15696614
5-methyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid
CID 15125946
2-Propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrochloride
CID 49860455
2-Ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrochloride
CID 49860456
4-Amino-2,5-dimethylhex-2-enoic acid
CID 57009858
2-Methyl-5-(methylamino)pent-2-enoic acid
CID 57317346
6-Ethyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid
CID 15696615
2-Propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
CID 15696616
2-Ethyl-4-(4,4,4-trifluorobutan-2-ylamino)but-2-enoic acid
CID 105942272
(E,4S)-2,5-dimethyl-4-(methylamino)hex-2-enoic acid
CID 15342281
(E)-4-amino-2-methylpent-2-enoic acid
CID 17856101

Frequently Asked Questions

What is the IUPAC name of (E)-4-(tert-butylamino)-2-methylpent-2-enoic acid?
The IUPAC name of (E)-4-(tert-butylamino)-2-methylpent-2-enoic acid (CID 18679977) is (E)-4-(tert-butylamino)-2-methylpent-2-enoic acid.
What is the SMILES notation for (E)-4-(tert-butylamino)-2-methylpent-2-enoic acid?
The canonical SMILES for (E)-4-(tert-butylamino)-2-methylpent-2-enoic acid is C/C(=C\C(C)NC(C)(C)C)C(=O)O.
What is the InChIKey of (E)-4-(tert-butylamino)-2-methylpent-2-enoic acid?
The InChIKey is DQACASICKQGZRQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(9(12)13)6-8(2)11-10(3,4)5/h6,8,11H,1-5H3,(H,12,13)/b7-6+.
What are the key properties of (E)-4-(tert-butylamino)-2-methylpent-2-enoic acid?
(E)-4-(tert-butylamino)-2-methylpent-2-enoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(tert-butylamino)-2-methylpent-2-enoic acid is sourced from PubChem (CID 18679977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).