(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid

C12H24N2O4 — CID 81061955

IUPAC(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
SMILESCC(C)OCCN(C)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O4/c1-8(2)10(11(15)16)13-12(17)14(5)6-7-18-9(3)4/h8-10H,6-7H2,1-5H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeySTXCGCLOTAYRIE-SNVBAGLBSA-N
MW260.33 g/mol
LogP1.16
Rot. Bonds7

About (2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid

(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid (PubChem CID 81061955) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
PubChem CID81061955
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
SMILESCC(C)OCCN(C)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O4/c1-8(2)10(11(15)16)13-12(17)14(5)6-7-18-9(3)4/h8-10H,6-7H2,1-5H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeySTXCGCLOTAYRIE-SNVBAGLBSA-N
XLogP1.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010163
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135
(2S)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 63701166
4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81057575
(2R)-3-methyl-2-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]butanoic acid
CID 79010195
3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062243
5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
CID 82848023
3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 115698202
(2S)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 61198805
(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 107840583
4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid
CID 107474565
3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81057768

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid (CID 81061955) is (2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid is CC(C)OCCN(C)C(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
The InChIKey is STXCGCLOTAYRIE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-8(2)10(11(15)16)13-12(17)14(5)6-7-18-9(3)4/h8-10H,6-7H2,1-5H3,(H,13,17)(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 81061955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).