(2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid

C10H18N2O5 — CID 104875461

IUPAC(2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid
SMILESCCCCNC(=O)NC(=O)CO[C@H](C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-3-4-5-11-10(16)12-8(13)6-17-7(2)9(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,13,16)/t7-/m1/s1
InChIKeyNLBWTEOHHTZBRU-SSDOTTSWSA-N
MW246.26 g/mol
LogP0.10
Rot. Bonds7

About (2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid

(2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid (PubChem CID 104875461) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid
PubChem CID104875461
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid
SMILESCCCCNC(=O)NC(=O)CO[C@H](C)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-3-4-5-11-10(16)12-8(13)6-17-7(2)9(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,13,16)/t7-/m1/s1
InChIKeyNLBWTEOHHTZBRU-SSDOTTSWSA-N
XLogP0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid?
The IUPAC name of (2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid (CID 104875461) is (2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid?
The canonical SMILES for (2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid is CCCCNC(=O)NC(=O)CO[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid?
The InChIKey is NLBWTEOHHTZBRU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-3-4-5-11-10(16)12-8(13)6-17-7(2)9(14)15/h7H,3-6H2,1-2H3,(H,14,15)(H2,11,12,13,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid?
(2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(butylcarbamoylamino)-2-oxoethoxy]propanoic acid is sourced from PubChem (CID 104875461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).