propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate

C10H18N2O4 — CID 116657633

IUPACpropan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
SMILESCOC(=O)NC1CCN(C(=O)OC(C)C)C1
InChIInChI=1S/C10H18N2O4/c1-7(2)16-10(14)12-5-4-8(6-12)11-9(13)15-3/h7-8H,4-6H2,1-3H3,(H,11,13)
InChIKeyMCAXQSXZJWVJIT-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.96
Rot. Bonds2

About propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate

propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate (PubChem CID 116657633) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
PubChem CID116657633
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namepropan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
SMILESCOC(=O)NC1CCN(C(=O)OC(C)C)C1
InChIInChI=1S/C10H18N2O4/c1-7(2)16-10(14)12-5-4-8(6-12)11-9(13)15-3/h7-8H,4-6H2,1-3H3,(H,11,13)
InChIKeyMCAXQSXZJWVJIT-UHFFFAOYSA-N
XLogP0.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate 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

propan-2-yl 3-acetamidopyrrolidine-1-carboxylate
CID 77434024
propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate
CID 115300213
propan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate
CID 58185250
methyl N-[1-(2-amino-3,3-dimethylbutanoyl)pyrrolidin-3-yl]carbamate
CID 113402196
1-(3-methylidenecyclohexyl)ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 143883059
propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate
CID 142975132
propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 124559521
methyl N-[1-(5-amino-4-methylpentanoyl)pyrrolidin-3-yl]carbamate
CID 113402198
methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate
CID 110822365
methyl N-(1-ethylpyrrolidin-3-yl)carbamate
CID 67579436
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
propan-2-yl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 116656597

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate (CID 116657633) is propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate is COC(=O)NC1CCN(C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate?
The InChIKey is MCAXQSXZJWVJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(2)16-10(14)12-5-4-8(6-12)11-9(13)15-3/h7-8H,4-6H2,1-3H3,(H,11,13).
What are the key properties of propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate?
propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 116657633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).