(2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid

C9H18N2O4 — CID 78979081

IUPAC(2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
SMILESCOCC(C)CNC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-6(5-15-3)4-10-9(14)11-7(2)8(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)(H2,10,11,14)/t6?,7-/m1/s1
InChIKeyVXVNUFHSGWGNHX-COBSHVIPSA-N
MW218.25 g/mol
LogP0.04
Rot. Bonds6

About (2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid

(2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid (PubChem CID 78979081) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
PubChem CID78979081
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name(2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
SMILESCOCC(C)CNC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C9H18N2O4/c1-6(5-15-3)4-10-9(14)11-7(2)8(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)(H2,10,11,14)/t6?,7-/m1/s1
InChIKeyVXVNUFHSGWGNHX-COBSHVIPSA-N
XLogP0.04
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65221880
(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048182
2-(2-methoxyethoxymethylcarbamoylamino)propanoic acid
CID 108894318
1-ethyl-3-(3-methoxy-2-methylpropyl)urea
CID 115593972
3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
CID 112735106
3-[(3-methoxy-2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898277
(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907124
(2S)-2-(2,2-difluoroethylcarbamoylamino)propanoic acid
CID 115408123
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
(2S)-2-(2-propan-2-yloxyethylcarbamoylamino)propanoic acid
CID 104763805

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid?
The IUPAC name of (2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid (CID 78979081) is (2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid is COCC(C)CNC(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid?
The InChIKey is VXVNUFHSGWGNHX-COBSHVIPSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-6(5-15-3)4-10-9(14)11-7(2)8(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)(H2,10,11,14)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid?
(2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid has a molecular weight of 218.25 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 78979081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).