methyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate

C11H20N4O5 — CID 21442300

IUPACmethyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate
SMILES[H]/N=C(\OC)N(C(=O)NCC(=O)OC)C(=O)NC(C)(C)C
InChIInChI=1S/C11H20N4O5/c1-11(2,3)14-10(18)15(8(12)20-5)9(17)13-6-7(16)19-4/h12H,6H2,1-5H3,(H,13,17)(H,14,18)/b12-8-
InChIKeyWQPDDNZCAVCOIE-WQLSENKSSA-N
MW288.30 g/mol
LogP0.26
Rot. Bonds2

About methyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate

methyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate (PubChem CID 21442300) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate
PubChem CID21442300
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Namemethyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate
SMILES[H]/N=C(\OC)N(C(=O)NCC(=O)OC)C(=O)NC(C)(C)C
InChIInChI=1S/C11H20N4O5/c1-11(2,3)14-10(18)15(8(12)20-5)9(17)13-6-7(16)19-4/h12H,6H2,1-5H3,(H,13,17)(H,14,18)/b12-8-
InChIKeyWQPDDNZCAVCOIE-WQLSENKSSA-N
XLogP0.26
TPSA120.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate 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-(tert-butylcarbamoyl)-N-(methylsulfanylcarbamoyl)carbamimidate
CID 21442168
methyl N-(tert-butylcarbamoyl)-N-(thiazinane-2-carbonyl)carbamimidate
CID 21442058
methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate
CID 55028566
methyl 2-[[methyl(nitroso)carbamoyl]amino]acetate
CID 86113020
2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid
CID 43135721
methyl 2-(methoxycarbonylamino)acetate
CID 14133519
methyl N-carbamoyl-N-(methylsulfanylcarbamoyl)carbamimidate
CID 21441996
2-[(2-methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258950
methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 134845181
N-tert-butyl-2-(diethylcarbamoylamino)acetamide
CID 115575873
3-tert-butyl-1,1-bis[N-(4-fluoro-2,6-dimethylphenyl)-N-methylcarbamimidoyl]urea
CID 57152046
2-[cyclopropyl-[(2-methoxy-2-oxoethyl)carbamoyl]amino]acetic acid
CID 61181974

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate?
The IUPAC name of methyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate (CID 21442300) is methyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate?
The canonical SMILES for methyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate is [H]/N=C(\OC)N(C(=O)NCC(=O)OC)C(=O)NC(C)(C)C.
What is the InChIKey of methyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate?
The InChIKey is WQPDDNZCAVCOIE-WQLSENKSSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-11(2,3)14-10(18)15(8(12)20-5)9(17)13-6-7(16)19-4/h12H,6H2,1-5H3,(H,13,17)(H,14,18)/b12-8-.
What are the key properties of methyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate?
methyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate has a molecular weight of 288.30 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[tert-butylcarbamoyl-(C-methoxycarbonimidoyl)carbamoyl]amino]acetate is sourced from PubChem (CID 21442300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).