[(2R)-1-aminopropan-2-yl] 2-methylpropanoate

C7H15NO2 — CID 87536097

IUPAC[(2R)-1-aminopropan-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H](C)CN
InChIInChI=1S/C7H15NO2/c1-5(2)7(9)10-6(3)4-8/h5-6H,4,8H2,1-3H3/t6-/m1/s1
InChIKeyNAHKHEZDQKCGFW-ZCFIWIBFSA-N
MW145.20 g/mol
LogP0.53
Rot. Bonds3

About [(2R)-1-aminopropan-2-yl] 2-methylpropanoate

[(2R)-1-aminopropan-2-yl] 2-methylpropanoate (PubChem CID 87536097) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is [(2R)-1-aminopropan-2-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[(2R)-1-aminopropan-2-yl] 2-methylpropanoate
PubChem CID87536097
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name[(2R)-1-aminopropan-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H](C)CN
InChIInChI=1S/C7H15NO2/c1-5(2)7(9)10-6(3)4-8/h5-6H,4,8H2,1-3H3/t6-/m1/s1
InChIKeyNAHKHEZDQKCGFW-ZCFIWIBFSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide
CID 88792060
[(2S,4R)-4-hydroxy-5-methylhexan-2-yl] 2-methylpropanoate
CID 16751426
1-aminopropan-2-yl 2,4-dihydroxy-4-methylpentanoate
CID 123339844
1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate
CID 88686252
4,4-dimethylhexan-2-yl 2-methylpropanoate
CID 89041122
butan-2-yl (2R)-2-aminopropanoate
CID 45086644
4-methylpentan-2-yl 2-(aminomethyl)-3-methylbutanoate
CID 65220441
1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate
CID 107837627
5-methylhexadecan-2-yl 2-methylpropanoate
CID 91350775
1-aminopropan-2-yl N,N-bis[3-(dimethylamino)propyl]carbamate
CID 90943523
[(2S)-1-aminopropan-2-yl] morpholine-4-carboxylate
CID 175231582
[(2R)-pentan-2-yl] (2S)-2-aminopropanoate
CID 118034271

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-aminopropan-2-yl] 2-methylpropanoate?
The IUPAC name of [(2R)-1-aminopropan-2-yl] 2-methylpropanoate (CID 87536097) is [(2R)-1-aminopropan-2-yl] 2-methylpropanoate.
What is the SMILES notation for [(2R)-1-aminopropan-2-yl] 2-methylpropanoate?
The canonical SMILES for [(2R)-1-aminopropan-2-yl] 2-methylpropanoate is CC(C)C(=O)O[C@H](C)CN.
What is the InChIKey of [(2R)-1-aminopropan-2-yl] 2-methylpropanoate?
The InChIKey is NAHKHEZDQKCGFW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)7(9)10-6(3)4-8/h5-6H,4,8H2,1-3H3/t6-/m1/s1.
What are the key properties of [(2R)-1-aminopropan-2-yl] 2-methylpropanoate?
[(2R)-1-aminopropan-2-yl] 2-methylpropanoate has a molecular weight of 145.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-aminopropan-2-yl] 2-methylpropanoate is sourced from PubChem (CID 87536097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).