(2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid

C11H22N2O3 — CID 103927229

IUPAC(2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
SMILESCC(C)NCC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)12-6-8(14)13-9(10(15)16)11(3,4)5/h7,9,12H,6H2,1-5H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyHPEZHUJSWFKSEG-VIFPVBQESA-N
MW230.31 g/mol
LogP0.60
Rot. Bonds5

About (2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid

(2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid (PubChem CID 103927229) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
PubChem CID103927229
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
SMILESCC(C)NCC(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)12-6-8(14)13-9(10(15)16)11(3,4)5/h7,9,12H,6H2,1-5H3,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyHPEZHUJSWFKSEG-VIFPVBQESA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid
CID 61161581
(2R)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3,3-dimethylbutanoic acid
CID 103927284
3,3-dimethyl-2-[(2-propan-2-ylsulfanylacetyl)amino]butanoic acid
CID 43467677
(2S)-2-[3-(ethylamino)butanoylamino]-3,3-dimethylbutanoic acid
CID 55121546
(2S)-3,3-dimethyl-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 61144091
3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61160050
(2R)-2-[(2-methoxyacetyl)amino]-3,3-dimethylbutanoic acid
CID 103926507
2-(3-methoxybutanoylamino)-3,3-dimethylbutanoic acid
CID 115909811
2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 81086648
(2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid
CID 113353116
(2R)-2-[(2-cyclobutylacetyl)amino]-3,3-dimethylbutanoic acid
CID 103162147
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid (CID 103927229) is (2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid is CC(C)NCC(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid?
The InChIKey is HPEZHUJSWFKSEG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)12-6-8(14)13-9(10(15)16)11(3,4)5/h7,9,12H,6H2,1-5H3,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid?
(2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid is sourced from PubChem (CID 103927229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).