3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid

C11H19N3O4 — CID 151649572

IUPAC3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid
SMILESCOC(=O)NC(=CN1CNCC1C(=O)O)C(C)C
InChIInChI=1S/C11H19N3O4/c1-7(2)8(13-11(17)18-3)5-14-6-12-4-9(14)10(15)16/h5,7,9,12H,4,6H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyQUFTVNVNZXEIIN-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.16
Rot. Bonds4

About 3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid

3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid (PubChem CID 151649572) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid
PubChem CID151649572
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid
SMILESCOC(=O)NC(=CN1CNCC1C(=O)O)C(C)C
InChIInChI=1S/C11H19N3O4/c1-7(2)8(13-11(17)18-3)5-14-6-12-4-9(14)10(15)16/h5,7,9,12H,4,6H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyQUFTVNVNZXEIIN-UHFFFAOYSA-N
XLogP0.16
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic 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

methyl N-[(3Z)-2-methylhexa-3,5-dien-3-yl]carbamate
CID 163468684
methyl N-(2-methylpropanoyl)carbamate
CID 59279110
1-propan-2-yloxycarbonylpiperazine-2-carboxylic acid
CID 18712905
1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442143
(1R,3S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 129094814
1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 83817362
1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one
CID 115737245
1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid
CID 106933551
1-O-tert-butyl 4-O-methyl 2H-pyridine-1,4-dicarboxylate;methyl N-(1-imidazol-1-yl-3-methylbut-1-en-2-yl)carbamate
CID 161167614
[(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate
CID 45046059
1-[2-(methoxycarbonylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563347
(1R,3R,5R)-2-[(2S,3S)-3-methoxy-2-(methoxycarbonylamino)butanoyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 118305256

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid (CID 151649572) is 3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid is COC(=O)NC(=CN1CNCC1C(=O)O)C(C)C.
What is the InChIKey of 3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid?
The InChIKey is QUFTVNVNZXEIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(2)8(13-11(17)18-3)5-14-6-12-4-9(14)10(15)16/h5,7,9,12H,4,6H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid?
3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxycarbonylamino)-3-methylbut-1-enyl]imidazolidine-4-carboxylic acid is sourced from PubChem (CID 151649572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).