2-methylpropyl 2-(aminomethyl)butanoate

C9H19NO2 — CID 65220185

IUPAC2-methylpropyl 2-(aminomethyl)butanoate
SMILESCCC(CN)C(=O)OCC(C)C
InChIInChI=1S/C9H19NO2/c1-4-8(5-10)9(11)12-6-7(2)3/h7-8H,4-6,10H2,1-3H3
InChIKeyDDSISEXDRAEDPK-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.17
Rot. Bonds5

About 2-methylpropyl 2-(aminomethyl)butanoate

2-methylpropyl 2-(aminomethyl)butanoate (PubChem CID 65220185) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methylpropyl 2-(aminomethyl)butanoate.

Molecular Properties

Compound Name2-methylpropyl 2-(aminomethyl)butanoate
PubChem CID65220185
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-methylpropyl 2-(aminomethyl)butanoate
SMILESCCC(CN)C(=O)OCC(C)C
InChIInChI=1S/C9H19NO2/c1-4-8(5-10)9(11)12-6-7(2)3/h7-8H,4-6,10H2,1-3H3
InChIKeyDDSISEXDRAEDPK-UHFFFAOYSA-N
XLogP1.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl (2S)-2-ethylhexanoate
CID 40565508
alumane;2-methylpropyl 2-ethylhexanoate
CID 174410098
2-methylpropyl 2-ethylnonanoate
CID 175297252
2-oxoethyl 2-(aminomethyl)butanoate
CID 156905587
2-methylpropyl 2-benzylbutanoate
CID 163514703
tert-butyl (2S)-2-(aminomethyl)butanoate
CID 129371399
ethyl (2S)-2-(aminomethyl)-4-methylpentanoate
CID 94397761
ethyl 2-(aminomethyl)-4-methylpentanoate
CID 16641205
cyclohexylmethyl 2-(aminomethyl)butanoate
CID 65218100
2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid
CID 65223783
2-methylpropyl 3-hydroxy-2-methylpropanoate
CID 14114444
2-methylpropyl 2-sulfanylpentanoate
CID 87341273

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(aminomethyl)butanoate?
The IUPAC name of 2-methylpropyl 2-(aminomethyl)butanoate (CID 65220185) is 2-methylpropyl 2-(aminomethyl)butanoate.
What is the SMILES notation for 2-methylpropyl 2-(aminomethyl)butanoate?
The canonical SMILES for 2-methylpropyl 2-(aminomethyl)butanoate is CCC(CN)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-(aminomethyl)butanoate?
The InChIKey is DDSISEXDRAEDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-8(5-10)9(11)12-6-7(2)3/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 2-methylpropyl 2-(aminomethyl)butanoate?
2-methylpropyl 2-(aminomethyl)butanoate has a molecular weight of 173.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(aminomethyl)butanoate is sourced from PubChem (CID 65220185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).