(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid

C9H18N2O3 — CID 78971835

IUPAC(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid
SMILESC[C@@H](NC(=O)NCC(C)(C)C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(7(12)13)11-8(14)10-5-9(2,3)4/h6H,5H2,1-4H3,(H,12,13)(H2,10,11,14)/t6-/m1/s1
InChIKeyHPCWDBDJOCEMML-ZCFIWIBFSA-N
MW202.25 g/mol
LogP0.80
Rot. Bonds3

About (2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid

(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid (PubChem CID 78971835) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid
PubChem CID78971835
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid
SMILESC[C@@H](NC(=O)NCC(C)(C)C)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(7(12)13)11-8(14)10-5-9(2,3)4/h6H,5H2,1-4H3,(H,12,13)(H2,10,11,14)/t6-/m1/s1
InChIKeyHPCWDBDJOCEMML-ZCFIWIBFSA-N
XLogP0.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,2-dimethylbutylcarbamoylamino)propanoic acid
CID 103463188
(2S)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]propanoic acid
CID 78967764
2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
CID 79555921
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2R)-2-(2,2-dimethylpropylcarbamoylamino)pentanoic acid
CID 107566318
(2S)-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
CID 78974776
2-[(2,2-dimethylpropylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 65223478
(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 (2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid?
The IUPAC name of (2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid (CID 78971835) is (2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid?
The canonical SMILES for (2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid is C[C@@H](NC(=O)NCC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid?
The InChIKey is HPCWDBDJOCEMML-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(7(12)13)11-8(14)10-5-9(2,3)4/h6H,5H2,1-4H3,(H,12,13)(H2,10,11,14)/t6-/m1/s1.
What are the key properties of (2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid?
(2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2-dimethylpropylcarbamoylamino)propanoic acid is sourced from PubChem (CID 78971835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).