(2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid

C12H21NO3 — CID 66477995

IUPAC(2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
SMILESCC[C@@H](NC(=O)C1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-6-7(10(15)16)13-9(14)8-11(2,3)12(8,4)5/h7-8H,6H2,1-5H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyXRPJYWKKWMDOEU-SSDOTTSWSA-N
MW227.30 g/mol
LogP1.65
Rot. Bonds4

About (2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid

(2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid (PubChem CID 66477995) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is (2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
PubChem CID66477995
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name(2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
SMILESCC[C@@H](NC(=O)C1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C12H21NO3/c1-6-7(10(15)16)13-9(14)8-11(2,3)12(8,4)5/h7-8H,6H2,1-5H3,(H,13,14)(H,15,16)/t7-/m1/s1
InChIKeyXRPJYWKKWMDOEU-SSDOTTSWSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methoxy-4-oxo-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
CID 66476655
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 66477984
2-acetamidobutanoic acid;ethane;methanol
CID 143023346
(2R)-3-(1-methylimidazol-4-yl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 166310406
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 79527189
(2S)-2-[(2,2-difluoroacetyl)amino]butanoic acid
CID 103513419
(2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 104979103
2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913581
(2S)-2-(adamantane-1-carbonylamino)butanoic acid
CID 7128727
(2S)-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 79006992
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
The IUPAC name of (2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid (CID 66477995) is (2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid is CC[C@@H](NC(=O)C1C(C)(C)C1(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
The InChIKey is XRPJYWKKWMDOEU-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H21NO3/c1-6-7(10(15)16)13-9(14)8-11(2,3)12(8,4)5/h7-8H,6H2,1-5H3,(H,13,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid?
(2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 66477995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).