methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C12H23NO4 — CID 4145150

IUPACmethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO4/c1-8(2)7-9(10(14)16-6)13-11(15)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15)
InChIKeyQSEVMIMUBKMNOU-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.10
Rot. Bonds4

About methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 4145150) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID4145150
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO4/c1-8(2)7-9(10(14)16-6)13-11(15)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15)
InChIKeyQSEVMIMUBKMNOU-UHFFFAOYSA-N
XLogP2.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate 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

L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-
CID 83170
tert-Butoxycarbonyl-L-isoleucine
CID 2724762
2-((Tert-butoxycarbonyl)amino)-4-methylpentanoic acid
CID 268473
2-(((Tert-butoxy)carbonyl)amino)pentanoic acid
CID 302433
2-((Tert-butoxycarbonyl)amino)-3-methylpentanoic acid
CID 433623
tert-Butoxycarbonyl-D-leucine
CID 637604
(2S)-2-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 2733748
N-Boc-L-Leucine Hydrate
CID 12373896
Boc-DL-leu-OH H2O
CID 16682082
Methyl N-acetyl-L-leucinate
CID 6950952
Dimethyl N-(tert-Butoxycarbonyl)-L-glutamate
CID 2734644
N-(tert-Butoxycarbonyl)-L-leucine methyl ester
CID 10879384

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 4145150) is methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is COC(=O)C(CC(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is QSEVMIMUBKMNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-8(2)7-9(10(14)16-6)13-11(15)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15).
What are the key properties of methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 245.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 4145150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).