2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid

C10H18N2O3 — CID 103260235

IUPAC2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
SMILESC=C(CNCC(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(9(14)15)5-11-6-8(13)12-10(2,3)4/h11H,1,5-6H2,2-4H3,(H,12,13)(H,14,15)
InChIKeyYTPIUVPTCRKKBM-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.13
Rot. Bonds5

About 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid

2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid (PubChem CID 103260235) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
PubChem CID103260235
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
SMILESC=C(CNCC(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(9(14)15)5-11-6-8(13)12-10(2,3)4/h11H,1,5-6H2,2-4H3,(H,12,13)(H,14,15)
InChIKeyYTPIUVPTCRKKBM-UHFFFAOYSA-N
XLogP0.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide
CID 115356626
propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 115356445
N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide
CID 113219551
N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide
CID 115356567
6-[[2-(tert-butylamino)-2-oxoethyl]amino]hexanoic acid
CID 115356547
2-[[[3-(methylamino)-3-oxopropyl]amino]methyl]prop-2-enoic acid
CID 103245953
N-tert-butyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]acetamide
CID 79551841
3-(tert-butylamino)-3-oxopropanoic acid
CID 23009238
N-tert-butyl-2-(2-ethylsulfonylethylamino)acetamide
CID 115356498
N-tert-butyl-2-(2-hydroxybutylamino)acetamide
CID 115356599
N-tert-butyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]acetamide
CID 106146940
2-amino-3-[[2-(tert-butylamino)-2-oxoethyl]amino]propanamide
CID 103260238

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid (CID 103260235) is 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid is C=C(CNCC(=O)NC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid?
The InChIKey is YTPIUVPTCRKKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(9(14)15)5-11-6-8(13)12-10(2,3)4/h11H,1,5-6H2,2-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid?
2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid is sourced from PubChem (CID 103260235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).