2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid

C11H22N2O3 — CID 62818134

IUPAC2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid
SMILESCC(C)C[C@H](N)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-7(2)6-8(12)9(14)13(5)11(3,4)10(15)16/h7-8H,6,12H2,1-5H3,(H,15,16)/t8-/m0/s1
InChIKeyTTXQXCSCRXECGT-QMMMGPOBSA-N
MW230.31 g/mol
LogP0.68
Rot. Bonds5

About 2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid

2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 62818134) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid
PubChem CID62818134
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid
SMILESCC(C)C[C@H](N)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-7(2)6-8(12)9(14)13(5)11(3,4)10(15)16/h7-8H,6,12H2,1-5H3,(H,15,16)/t8-/m0/s1
InChIKeyTTXQXCSCRXECGT-QMMMGPOBSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid
CID 78917580
2-amino-N,4-dimethylpentanehydrazide
CID 116848873
2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid
CID 81088551
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-methylamino]-2-methylpropanoic acid
CID 76950010
tert-butyl N-[(2S)-2-amino-4-methylpentanoyl]-N-methylcarbamate
CID 154001260
3-[[(2S)-2-amino-4-methylpentanoyl]-tert-butylamino]propanoic acid
CID 61161091
2-[2-(aminomethyl)butanoyl-methylamino]-2-methylpropanoic acid
CID 65228639
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
4-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]benzoic acid
CID 104698691
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-methyl-2-[methyl-[methyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 62821986
2-methyl-2-[methyl(2-methylsulfonylpropanoyl)amino]propanoic acid
CID 115730595

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid (CID 62818134) is 2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid is CC(C)C[C@H](N)C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is TTXQXCSCRXECGT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)6-8(12)9(14)13(5)11(3,4)10(15)16/h7-8H,6,12H2,1-5H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid?
2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62818134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).