N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

C16H25N3O3 — CID 97067758

IUPACN-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c(C)n1C(C)C
InChIInChI=1S/C16H25N3O3/c1-9(2)19-10(3)7-13(11(19)4)16(21)18-8-12-5-6-14(22-12)15(17)20/h7,9,12,14H,5-6,8H2,1-4H3,(H2,17,20)(H,18,21)/t12-,14+/m1/s1
InChIKeyCAPNOVKNNMWCHS-OCCSQVGLSA-N
MW307.39 g/mol
LogP1.45
Rot. Bonds5

About N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 97067758) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID97067758
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c(C)n1C(C)C
InChIInChI=1S/C16H25N3O3/c1-9(2)19-10(3)7-13(11(19)4)16(21)18-8-12-5-6-14(22-12)15(17)20/h7,9,12,14H,5-6,8H2,1-4H3,(H2,17,20)(H,18,21)/t12-,14+/m1/s1
InChIKeyCAPNOVKNNMWCHS-OCCSQVGLSA-N
XLogP1.45
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide 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

N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 111471329
5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide
CID 119946036
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 119997726
3-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-2-methylpropanoic acid
CID 119237626
(2R,5R)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
CID 99835307
(2R,5S)-5-[[(3-bromo-4-methylthiophene-2-carbonyl)amino]methyl]oxolane-2-carboxamide
CID 99835306
N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 118902313
5-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]oxolane-2-carboxamide
CID 119822338
N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698914
2-[2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242611
5-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]oxolane-2-carboxamide
CID 120669246
4-[[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542073

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 97067758) is N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c(C)n1C(C)C.
What is the InChIKey of N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is CAPNOVKNNMWCHS-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-9(2)19-10(3)7-13(11(19)4)16(21)18-8-12-5-6-14(22-12)15(17)20/h7,9,12,14H,5-6,8H2,1-4H3,(H2,17,20)(H,18,21)/t12-,14+/m1/s1.
What are the key properties of N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 97067758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).