ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid

C15H32N2O4 — CID 142042736

IUPACethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
SMILESCC.CC.CC(C)(C)OC(=O)NC1CCN(CC(=O)O)C1
InChIInChI=1S/C11H20N2O4.2C2H6/c1-11(2,3)17-10(16)12-8-4-5-13(6-8)7-9(14)15;2*1-2/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15);2*1-2H3
InChIKeySGHCMSURHQBMHW-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.72
Rot. Bonds3

About ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid

ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid (PubChem CID 142042736) has the molecular formula C15H32N2O4 and a molecular weight of 304.43 g/mol. Its IUPAC name is ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Nameethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
PubChem CID142042736
Molecular FormulaC15H32N2O4
Molecular Weight304.43 g/mol
Exact Mass304.24
IUPAC Nameethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
SMILESCC.CC.CC(C)(C)OC(=O)NC1CCN(CC(=O)O)C1
InChIInChI=1S/C11H20N2O4.2C2H6/c1-11(2,3)17-10(16)12-8-4-5-13(6-8)7-9(14)15;2*1-2/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15);2*1-2H3
InChIKeySGHCMSURHQBMHW-UHFFFAOYSA-N
XLogP2.72
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid 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 N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
tert-butyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66565985
tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349
tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate
CID 75993976
2-[(3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pyrrolidin-1-yl]acetic acid
CID 121230383
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
2-[1-(carboxymethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetic acid
CID 112544777
2-(3-acetamidopyrrolidin-1-yl)acetic acid
CID 66567726
tert-butyl N-[1-[2-(4-bromophenyl)-2-oxoethyl]pyrrolidin-3-yl]carbamate
CID 174883539
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566396
tert-butyl N-[(3R)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]carbamate
CID 53256386
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882

Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid?
The IUPAC name of ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid (CID 142042736) is ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid is CC.CC.CC(C)(C)OC(=O)NC1CCN(CC(=O)O)C1.
What is the InChIKey of ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid?
The InChIKey is SGHCMSURHQBMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4.2C2H6/c1-11(2,3)17-10(16)12-8-4-5-13(6-8)7-9(14)15;2*1-2/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15);2*1-2H3.
What are the key properties of ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid?
ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid has a molecular weight of 304.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 142042736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).