(1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate

C10H22N2O2 — CID 139681751

IUPAC(1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OC(C)(C)CN
InChIInChI=1S/C10H22N2O2/c1-7(2)5-8(12)9(13)14-10(3,4)6-11/h7-8H,5-6,11-12H2,1-4H3/t8-/m0/s1
InChIKeyCJAKOQYKUJHSNB-QMMMGPOBSA-N
MW202.30 g/mol
LogP0.64
Rot. Bonds5

About (1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate

(1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate (PubChem CID 139681751) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Name(1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate
PubChem CID139681751
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OC(C)(C)CN
InChIInChI=1S/C10H22N2O2/c1-7(2)5-8(12)9(13)14-10(3,4)6-11/h7-8H,5-6,11-12H2,1-4H3/t8-/m0/s1
InChIKeyCJAKOQYKUJHSNB-QMMMGPOBSA-N
XLogP0.64
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate
CID 139681743
2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate
CID 139681724
2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid
CID 90956305
4-methylpentan-2-yl 2-amino-4-methylpentanoate
CID 61277406
tert-butyl 2,4-diaminopentanoate;hydrochloride
CID 73010870
(2S)-2-amino-4-methylpentanoyl iodide
CID 126568368
(1-amino-2-methylpropan-2-yl) acetate
CID 20827160
[(2S)-2-amino-4-methylpentanoyl]oxysulfanyl (2S)-2-amino-4-methylpentanoate
CID 90745956
2,4-dimethylpentan-2-yl 2-methylpropanoate
CID 58385667
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide
CID 119796588
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate?
The IUPAC name of (1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate (CID 139681751) is (1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate.
What is the SMILES notation for (1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate?
The canonical SMILES for (1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate is CC(C)C[C@H](N)C(=O)OC(C)(C)CN.
What is the InChIKey of (1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate?
The InChIKey is CJAKOQYKUJHSNB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-7(2)5-8(12)9(13)14-10(3,4)6-11/h7-8H,5-6,11-12H2,1-4H3/t8-/m0/s1.
What are the key properties of (1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate?
(1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate has a molecular weight of 202.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate is sourced from PubChem (CID 139681751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).