tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate

C14H28N2O2 — CID 68999628

IUPACtert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate
SMILESCC(C)CN(CC(=O)OC(C)(C)C)[C@@H]1CCNC1
InChIInChI=1S/C14H28N2O2/c1-11(2)9-16(12-6-7-15-8-12)10-13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyVUXDWBPUMJNKEH-GFCCVEGCSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds5

About tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate

tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate (PubChem CID 68999628) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate
PubChem CID68999628
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate
SMILESCC(C)CN(CC(=O)OC(C)(C)C)[C@@H]1CCNC1
InChIInChI=1S/C14H28N2O2/c1-11(2)9-16(12-6-7-15-8-12)10-13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3/t12-/m1/s1
InChIKeyVUXDWBPUMJNKEH-GFCCVEGCSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate 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 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate
CID 69373448
tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 66569336
ethyl 2-[ethyl(pyrrolidin-3-yl)amino]acetate
CID 63300317
tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate
CID 126620309
tert-butyl N-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 167504034
tert-butyl 2-[cyclopentyl(ethyl)amino]acetate
CID 137320187
2-[methyl(piperidin-4-yl)amino]-N,N-bis(2-methylpropyl)acetamide;hydrochloride
CID 119912437
tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 87304052
tert-butyl N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)carbamate
CID 157021829
tert-butyl 2-[[(1S,2S)-2-[[(1S,2S)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 54539679
N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 55206294
2-[ethyl(pyrrolidin-3-yl)amino]-N-(6-methylheptan-2-yl)acetamide
CID 63299866

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate?
The IUPAC name of tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate (CID 68999628) is tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate?
The canonical SMILES for tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate is CC(C)CN(CC(=O)OC(C)(C)C)[C@@H]1CCNC1.
What is the InChIKey of tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate?
The InChIKey is VUXDWBPUMJNKEH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)9-16(12-6-7-15-8-12)10-13(17)18-14(3,4)5/h11-12,15H,6-10H2,1-5H3/t12-/m1/s1.
What are the key properties of tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate?
tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate is sourced from PubChem (CID 68999628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).