(2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid

C7H16N2O2 — CID 57159818

IUPAC(2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@](N)(CN)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-6(2,3)7(9,4-8)5(10)11/h4,8-9H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyCPNWCJOKMJICMZ-ZETCQYMHSA-N
MW160.22 g/mol
LogP-0.23
Rot. Bonds2

About (2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid

(2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid (PubChem CID 57159818) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid
PubChem CID57159818
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@](N)(CN)C(=O)O
InChIInChI=1S/C7H16N2O2/c1-6(2,3)7(9,4-8)5(10)11/h4,8-9H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyCPNWCJOKMJICMZ-ZETCQYMHSA-N
XLogP-0.23
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(2-butylsulfanylethyl)-3,3-dimethylbutanoic acid
CID 91364833
2-amino-2,3,3-trimethylbutanoic acid;dihydrochloride
CID 140576476
2-amino-3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 68831374
2-amino-2-sulfanylpropanoic acid
CID 22715625
2,3-diamino-2-sulfanylpropanoic acid
CID 91577489
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2,3,3-triamino-2-(3-aminopropyl)pentanoic acid
CID 141238758
2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
CID 106487157
3-amino-2-methyl-2-sulfopropanoic acid
CID 20561416
(2S)-2-amino-2-[(2,4-dichlorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 159514027
2-methylpropane-1,2-diamine;tetradecanoic acid
CID 172833442
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid (CID 57159818) is (2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid is CC(C)(C)[C@](N)(CN)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid?
The InChIKey is CPNWCJOKMJICMZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(2,3)7(9,4-8)5(10)11/h4,8-9H2,1-3H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid?
(2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid has a molecular weight of 160.22 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(aminomethyl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 57159818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).