2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid

C10H19NO4 — CID 65223783

IUPAC2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)OCC(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-8(9(12)13)5-11-10(14)15-6-7(2)3/h7-8H,4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyWGHMFQUNLMEFIJ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.48
Rot. Bonds6

About 2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid

2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid (PubChem CID 65223783) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid
PubChem CID65223783
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid
SMILESCCC(CNC(=O)OCC(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-8(9(12)13)5-11-10(14)15-6-7(2)3/h7-8H,4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyWGHMFQUNLMEFIJ-UHFFFAOYSA-N
XLogP1.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid
CID 66165028
(2R)-2-[(prop-2-enoxycarbonylamino)methyl]butanoic acid
CID 167742277
2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid
CID 65224335
2-methylpropyl N-(3-amino-2-methylpropyl)carbamate
CID 62665542
2-[(4-methylpentanoylamino)methyl]butanoic acid
CID 65218039
2-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]butanoic acid
CID 65224036
2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate
CID 64541260
2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate
CID 3115351
2-[(2-aminobutanoylamino)methyl]butanoic acid
CID 65224441
2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid
CID 65221246
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid?
The IUPAC name of 2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid (CID 65223783) is 2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid is CCC(CNC(=O)OCC(C)C)C(=O)O.
What is the InChIKey of 2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid?
The InChIKey is WGHMFQUNLMEFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-8(9(12)13)5-11-10(14)15-6-7(2)3/h7-8H,4-6H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid?
2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid is sourced from PubChem (CID 65223783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).