3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid

C11H21NO4 — CID 81066904

IUPAC3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)OC(C)(C)C)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-5-8(6-9(13)14)7-12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyWJJHVCUDLONELJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.01
Rot. Bonds5

About 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid

3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid (PubChem CID 81066904) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
PubChem CID81066904
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)OC(C)(C)C)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-5-8(6-9(13)14)7-12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyWJJHVCUDLONELJ-UHFFFAOYSA-N
XLogP2.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]hexanoic acid
CID 139358946
3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid
CID 81066315
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[4-bromo-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]carbamate
CID 15186009
(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 18631841
tert-butyl N-[(2R)-2-ethyl-3-hydroxypentyl]carbamate
CID 91490208
tert-butyl N-[2-(2-ethylbutylamino)pentyl]carbamate
CID 107253795
3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid
CID 81065507
(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10899749
tert-butyl N-[(2R)-2-amino-3-methylpentyl]carbamate
CID 87428615
3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 131165923
(3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 125180154

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid (CID 81066904) is 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid is CCC(CNC(=O)OC(C)(C)C)CC(=O)O.
What is the InChIKey of 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid?
The InChIKey is WJJHVCUDLONELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-8(6-9(13)14)7-12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid?
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid is sourced from PubChem (CID 81066904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).