(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid

C11H22N2O5 — CID 80756983

IUPAC(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
SMILESCOCCN(CC(C)C)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H22N2O5/c1-8(2)6-13(4-5-18-3)11(17)12-9(7-14)10(15)16/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t9-/m1/s1
InChIKeyFGYCSROVDRRVQB-SECBINFHSA-N
MW262.31 g/mol
LogP-0.25
Rot. Bonds8

About (2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid

(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid (PubChem CID 80756983) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
PubChem CID80756983
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
SMILESCOCCN(CC(C)C)C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H22N2O5/c1-8(2)6-13(4-5-18-3)11(17)12-9(7-14)10(15)16/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t9-/m1/s1
InChIKeyFGYCSROVDRRVQB-SECBINFHSA-N
XLogP-0.25
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 ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 54985894
(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid
CID 115535060
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243
(2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756766
(2R)-2-[bis(3-methylbutyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107870556
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 54947939
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid
CID 113467934
(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 114005835
3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897540

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid (CID 80756983) is (2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid is COCCN(CC(C)C)C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid?
The InChIKey is FGYCSROVDRRVQB-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-8(2)6-13(4-5-18-3)11(17)12-9(7-14)10(15)16/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid?
(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of -0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 80756983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).