(2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid

C10H17F3N2O5 — CID 87582497

IUPAC(2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid
SMILESCC(C)[C@H](C(=O)O)N(C)C(=O)CN.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O3.C2HF3O2/c1-5(2)7(8(12)13)10(3)6(11)4-9;3-2(4,5)1(6)7/h5,7H,4,9H2,1-3H3,(H,12,13);(H,6,7)/t7-;/m1./s1
InChIKeyGCWMAUMDQXOEAP-OGFXRTJISA-N
MW302.25 g/mol
LogP0.15
Rot. Bonds4

About (2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid

(2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 87582497) has the molecular formula C10H17F3N2O5 and a molecular weight of 302.25 g/mol. Its IUPAC name is (2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid
PubChem CID87582497
Molecular FormulaC10H17F3N2O5
Molecular Weight302.25 g/mol
Exact Mass302.11
IUPAC Name(2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid
SMILESCC(C)[C@H](C(=O)O)N(C)C(=O)CN.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O3.C2HF3O2/c1-5(2)7(8(12)13)10(3)6(11)4-9;3-2(4,5)1(6)7/h5,7H,4,9H2,1-3H3,(H,12,13);(H,6,7)/t7-;/m1./s1
InChIKeyGCWMAUMDQXOEAP-OGFXRTJISA-N
XLogP0.15
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-chloroacetyl)-methylamino]-3-methylbutanoic acid
CID 15677270
2-[3-(dimethylamino)propanoyl-methylamino]-3-methylbutanoic acid
CID 110834656
2-amino-N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 43570257
3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid)
CID 171932253
(2S)-2-[(2-formamidoacetyl)-methylamino]-3-methylbutanoic acid
CID 89273133
3-methyl-2-[methyl-[2-(oxan-4-yl)acetyl]amino]butanoic acid
CID 110837449
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride
CID 159443818
2-[[(3S)-1-[4-(dimethylamino)-4-methylpent-2-ynyl]pyrrolidine-3-carbonyl]-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid
CID 175451620
N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 118626568
2-(dimethylamino)-3-methylbutanoic acid;hydrochloride
CID 71299250
(2S)-2-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methylamino]-3-methylbutanoic acid
CID 11782117

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid (CID 87582497) is (2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid is CC(C)[C@H](C(=O)O)N(C)C(=O)CN.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is GCWMAUMDQXOEAP-OGFXRTJISA-N. The full InChI is InChI=1S/C8H16N2O3.C2HF3O2/c1-5(2)7(8(12)13)10(3)6(11)4-9;3-2(4,5)1(6)7/h5,7H,4,9H2,1-3H3,(H,12,13);(H,6,7)/t7-;/m1./s1.
What are the key properties of (2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid?
(2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 302.25 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87582497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).