3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid

C11H22N2O5 — CID 106109959

IUPAC3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N(CCCO)C(C)C)C(=O)O
InChIInChI=1S/C11H22N2O5/c1-8(2)13(5-4-6-14)11(17)12-7-9(18-3)10(15)16/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyWMSMLKWJUXCPBB-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.11
Rot. Bonds8

About 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid

3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid (PubChem CID 106109959) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid
PubChem CID106109959
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N(CCCO)C(C)C)C(=O)O
InChIInChI=1S/C11H22N2O5/c1-8(2)13(5-4-6-14)11(17)12-7-9(18-3)10(15)16/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyWMSMLKWJUXCPBB-UHFFFAOYSA-N
XLogP-0.11
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid with MolForge

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Related Compounds

2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 106109710
2-methoxy-3-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]propanoic acid
CID 106110731
(2S)-2-hydroxy-3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 107839205
2-methoxy-3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 106109760
(2S)-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-3-methylpentanoic acid
CID 54998790
3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109985
3-[bis(2-amino-2-oxoethyl)carbamoylamino]-2-methoxypropanoic acid
CID 114144690
3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287610
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 114144655
(2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 63719398
2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 106108243

Frequently Asked Questions

What is the IUPAC name of 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid (CID 106109959) is 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)N(CCCO)C(C)C)C(=O)O.
What is the InChIKey of 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid?
The InChIKey is WMSMLKWJUXCPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-8(2)13(5-4-6-14)11(17)12-7-9(18-3)10(15)16/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid?
3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid has a molecular weight of 262.31 g/mol, XLogP of -0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106109959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).