tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium

C11H19CrN2O3- — CID 173484458

IUPACtert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium
SMILES[CH2-]NC(=O)C1CCCN1C(=O)OC(C)(C)C.[Cr]
InChIInChI=1S/C11H19N2O3.Cr/c1-11(2,3)16-10(15)13-7-5-6-8(13)9(14)12-4;/h8H,4-7H2,1-3H3,(H,12,14);/q-1;
InChIKeyDPOZIXLMPOPHBV-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.29
Rot. Bonds1

About tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium

tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium (PubChem CID 173484458) has the molecular formula C11H19CrN2O3- and a molecular weight of 279.28 g/mol. Its IUPAC name is tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium.

Molecular Properties

Compound Nametert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium
PubChem CID173484458
Molecular FormulaC11H19CrN2O3-
Molecular Weight279.28 g/mol
Exact Mass279.08
IUPAC Nametert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium
SMILES[CH2-]NC(=O)C1CCCN1C(=O)OC(C)(C)C.[Cr]
InChIInChI=1S/C11H19N2O3.Cr/c1-11(2,3)16-10(15)13-7-5-6-8(13)9(14)12-4;/h8H,4-7H2,1-3H3,(H,12,14);/q-1;
InChIKeyDPOZIXLMPOPHBV-UHFFFAOYSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium 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

tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
CID 14471857
tert-butyl 2-(3-methylbutan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 73237927
2-methyl-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 12990507
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
tert-butyl (2R)-2-[[(1S,2R)-2-methylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate
CID 124835778
(2S)-3-methyl-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid
CID 11758831
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873
tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587
tert-butyl (2S)-2-(acetamidocarbamoyl)piperidine-1-carboxylate
CID 131748452
tert-butyl (2S)-2-[2-(methylamino)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 102225547

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium?
The IUPAC name of tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium (CID 173484458) is tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium.
What is the SMILES notation for tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium?
The canonical SMILES for tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium is [CH2-]NC(=O)C1CCCN1C(=O)OC(C)(C)C.[Cr].
What is the InChIKey of tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium?
The InChIKey is DPOZIXLMPOPHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2O3.Cr/c1-11(2,3)16-10(15)13-7-5-6-8(13)9(14)12-4;/h8H,4-7H2,1-3H3,(H,12,14);/q-1;.
What are the key properties of tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium?
tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium has a molecular weight of 279.28 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methanidylcarbamoyl)pyrrolidine-1-carboxylate;chromium is sourced from PubChem (CID 173484458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).