(2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid

C10H20N2O3 — CID 103463188

IUPAC(2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid
SMILESCCC(C)(C)CNC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-5-10(3,4)6-11-9(15)12-7(2)8(13)14/h7H,5-6H2,1-4H3,(H,13,14)(H2,11,12,15)/t7-/m0/s1
InChIKeyMLHMRIFUTFWWGG-ZETCQYMHSA-N
MW216.28 g/mol
LogP1.19
Rot. Bonds5

About (2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid

(2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid (PubChem CID 103463188) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid
PubChem CID103463188
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid
SMILESCCC(C)(C)CNC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-5-10(3,4)6-11-9(15)12-7(2)8(13)14/h7H,5-6H2,1-4H3,(H,13,14)(H2,11,12,15)/t7-/m0/s1
InChIKeyMLHMRIFUTFWWGG-ZETCQYMHSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid
CID 78971835
(2S)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]propanoic acid
CID 78967764
2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
CID 79555921
2-(3-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 106330759
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(3S)-3-[(2,2-dimethylbutylcarbamoylamino)methyl]-5-methylhexanoic acid
CID 103463142
(2S)-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
CID 78974776
(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid
CID 61403135
(2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid
CID 115408123
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 30111500
(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907124

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid?
The IUPAC name of (2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid (CID 103463188) is (2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid?
The canonical SMILES for (2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid is CCC(C)(C)CNC(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid?
The InChIKey is MLHMRIFUTFWWGG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-10(3,4)6-11-9(15)12-7(2)8(13)14/h7H,5-6H2,1-4H3,(H,13,14)(H2,11,12,15)/t7-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid?
(2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid is sourced from PubChem (CID 103463188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).