propan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate

C16H30N2O4 — CID 58048617

IUPACpropan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCCOC(NC(=O)[C@@H]1CCCN1C(=O)OC(C)C)C(C)C
InChIInChI=1S/C16H30N2O4/c1-6-10-21-15(11(2)3)17-14(19)13-8-7-9-18(13)16(20)22-12(4)5/h11-13,15H,6-10H2,1-5H3,(H,17,19)/t13-,15?/m0/s1
InChIKeyGOJRNBIUDXXUGP-CFMCSPIPSA-N
MW314.43 g/mol
LogP2.52
Rot. Bonds7

About propan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate

propan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 58048617) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID58048617
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Namepropan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCCOC(NC(=O)[C@@H]1CCCN1C(=O)OC(C)C)C(C)C
InChIInChI=1S/C16H30N2O4/c1-6-10-21-15(11(2)3)17-14(19)13-8-7-9-18(13)16(20)22-12(4)5/h11-13,15H,6-10H2,1-5H3,(H,17,19)/t13-,15?/m0/s1
InChIKeyGOJRNBIUDXXUGP-CFMCSPIPSA-N
XLogP2.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze propan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]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 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 116654854
methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen
CID 169160570
tert-butyl 2-(3-methylbutan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 73237927
propan-2-yl 2-methylpyrrolidine-1-carboxylate
CID 58164988
2,2,2-trifluoroethyl (2S)-2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 95244930
phenyl (2S)-2-[[(2S)-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 41374824
(2S)-3-methyl-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]butanoic acid
CID 11758831
tert-butyl (2S)-2-[(1-ethoxy-3-methyl-1-oxopent-4-en-2-yl)carbamoyl]pyrrolidine-1-carboxylate;formaldehyde
CID 143680726
propan-2-yl N-[2-[(2S)-2-(1,2-dioxohexan-3-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 143350762
propan-2-yl (2R)-1-acetylpyrrolidine-2-carboxylate
CID 131843971
benzyl (2R)-2-[[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 92842574
tert-butyl (2S)-2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 15690074

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate (CID 58048617) is propan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate is CCCOC(NC(=O)[C@@H]1CCCN1C(=O)OC(C)C)C(C)C.
What is the InChIKey of propan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is GOJRNBIUDXXUGP-CFMCSPIPSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-6-10-21-15(11(2)3)17-14(19)13-8-7-9-18(13)16(20)22-12(4)5/h11-13,15H,6-10H2,1-5H3,(H,17,19)/t13-,15?/m0/s1.
What are the key properties of propan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate?
propan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[(2-methyl-1-propoxypropyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 58048617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).