tert-butyl (2S)-2-(methylamino)pentanoate

C10H21NO2 — CID 143115703

IUPACtert-butyl (2S)-2-(methylamino)pentanoate
SMILESCCC[C@H](NC)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-7-8(11-5)9(12)13-10(2,3)4/h8,11H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyDQLIFRAKPPVASS-QMMMGPOBSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds4

About tert-butyl (2S)-2-(methylamino)pentanoate

tert-butyl (2S)-2-(methylamino)pentanoate (PubChem CID 143115703) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is tert-butyl (2S)-2-(methylamino)pentanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(methylamino)pentanoate
PubChem CID143115703
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nametert-butyl (2S)-2-(methylamino)pentanoate
SMILESCCC[C@H](NC)C(=O)OC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-6-7-8(11-5)9(12)13-10(2,3)4/h8,11H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyDQLIFRAKPPVASS-QMMMGPOBSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58427308
tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate
CID 142791609
methyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]boronamidic acid
CID 88563098
tert-butyl 2-(2-methylpropylamino)pentanoate
CID 75458085
tert-butyl 2,6-bis(methylamino)hexanoate
CID 59397454
tert-butyl 2,3-bis(methylamino)propanoate
CID 87548919
acetylene;tert-butyl 2-(methylamino)-4-oxopentanoate;ethane
CID 142026196
tert-butyl 5,5,5-trifluoro-2-(methylamino)-4-(trifluoromethyl)pentanoate
CID 147993070
tert-butyl (2R)-2-hydroxypentanoate
CID 90988150
tert-butyl (2R)-2-hydrazinylbutanoate
CID 140972061
tert-butyl 2-(decylamino)decanoate
CID 151255865
ditert-butyl 2-methyl-5-propylhexanedioate
CID 175603524

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(methylamino)pentanoate?
The IUPAC name of tert-butyl (2S)-2-(methylamino)pentanoate (CID 143115703) is tert-butyl (2S)-2-(methylamino)pentanoate.
What is the SMILES notation for tert-butyl (2S)-2-(methylamino)pentanoate?
The canonical SMILES for tert-butyl (2S)-2-(methylamino)pentanoate is CCC[C@H](NC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(methylamino)pentanoate?
The InChIKey is DQLIFRAKPPVASS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-7-8(11-5)9(12)13-10(2,3)4/h8,11H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(methylamino)pentanoate?
tert-butyl (2S)-2-(methylamino)pentanoate has a molecular weight of 187.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(methylamino)pentanoate is sourced from PubChem (CID 143115703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).