tert-butyl (2S)-2,5-diamino-2-methylpentanoate

C10H22N2O2 — CID 54077962

IUPACtert-butyl (2S)-2,5-diamino-2-methylpentanoate
SMILESCC(C)(C)OC(=O)[C@@](C)(N)CCCN
InChIInChI=1S/C10H22N2O2/c1-9(2,3)14-8(13)10(4,12)6-5-7-11/h5-7,11-12H2,1-4H3/t10-/m0/s1
InChIKeyMLAUPZPFUKHJMN-JTQLQIEISA-N
MW202.30 g/mol
LogP0.78
Rot. Bonds4

About tert-butyl (2S)-2,5-diamino-2-methylpentanoate

tert-butyl (2S)-2,5-diamino-2-methylpentanoate (PubChem CID 54077962) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl (2S)-2,5-diamino-2-methylpentanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2,5-diamino-2-methylpentanoate
PubChem CID54077962
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl (2S)-2,5-diamino-2-methylpentanoate
SMILESCC(C)(C)OC(=O)[C@@](C)(N)CCCN
InChIInChI=1S/C10H22N2O2/c1-9(2,3)14-8(13)10(4,12)6-5-7-11/h5-7,11-12H2,1-4H3/t10-/m0/s1
InChIKeyMLAUPZPFUKHJMN-JTQLQIEISA-N
XLogP0.78
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ditert-butyl 2-amino-2-(9-aminononyl)propanedioate
CID 91092434
2,6-diamino-2-[(2-methylpropan-2-yl)oxycarbonyl]hexanoic acid
CID 19969154
tert-butyl 2-amino-2-methylbutanoate
CID 57065148
2,5-diamino-2-methylpentanamide
CID 130907221
tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 166066417
ditert-butyl 2-amino-2-[3-[6-(4-aminobutylamino)hexylamino]propyl]propanedioate
CID 19360445
2,6-diamino-2-methylhexanoic acid
CID 3017540
2,7-diamino-2,7-bis[(2-methylpropan-2-yl)oxycarbonyl]octanedioic acid
CID 154136395
tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate
CID 155065541
2,8-diamino-2-methyloctanoic acid
CID 87814639
tert-butyl 2-amino-3-cyclopropyl-2-methylpropanoate
CID 90204397
tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate
CID 175133888

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2,5-diamino-2-methylpentanoate?
The IUPAC name of tert-butyl (2S)-2,5-diamino-2-methylpentanoate (CID 54077962) is tert-butyl (2S)-2,5-diamino-2-methylpentanoate.
What is the SMILES notation for tert-butyl (2S)-2,5-diamino-2-methylpentanoate?
The canonical SMILES for tert-butyl (2S)-2,5-diamino-2-methylpentanoate is CC(C)(C)OC(=O)[C@@](C)(N)CCCN.
What is the InChIKey of tert-butyl (2S)-2,5-diamino-2-methylpentanoate?
The InChIKey is MLAUPZPFUKHJMN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(2,3)14-8(13)10(4,12)6-5-7-11/h5-7,11-12H2,1-4H3/t10-/m0/s1.
What are the key properties of tert-butyl (2S)-2,5-diamino-2-methylpentanoate?
tert-butyl (2S)-2,5-diamino-2-methylpentanoate has a molecular weight of 202.30 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2,5-diamino-2-methylpentanoate is sourced from PubChem (CID 54077962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).