(2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid

C10H20N2O4 — CID 82943097

IUPAC(2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid
SMILESCCCOCCCNC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-6-16-7-4-5-11-10(15)12-8(2)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)/t8-/m1/s1
InChIKeyKZVXAGAEQNCOOZ-MRVPVSSYSA-N
MW232.28 g/mol
LogP0.58
Rot. Bonds8

About (2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid

(2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid (PubChem CID 82943097) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid
PubChem CID82943097
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid
SMILESCCCOCCCNC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-6-16-7-4-5-11-10(15)12-8(2)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)/t8-/m1/s1
InChIKeyKZVXAGAEQNCOOZ-MRVPVSSYSA-N
XLogP0.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid
CID 82943538
(2S)-2-(3-propoxypropylcarbamoylamino)pentanedioic acid
CID 82944278
3-(3-butoxypropylcarbamoylamino)-2-methylbutanoic acid
CID 113481173
5-amino-5-oxo-2-(3-propoxypropylcarbamoylamino)pentanoic acid
CID 82943639
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943732
3-methyl-2-(2-propoxyethylcarbamoylamino)butanoic acid
CID 106450974
2-chloro-N-(3-propoxypropylcarbamoyl)propanamide
CID 82943855
(3S)-5-methyl-3-[(3-propoxypropylcarbamoylamino)methyl]hexanoic acid
CID 82941576
(2S)-2-(2-propan-2-yloxyethylcarbamoylamino)propanoic acid
CID 104763805
2-[3-(4-methylphenoxy)propylcarbamoylamino]propanoic acid
CID 108881262
2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 61201929

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid?
The IUPAC name of (2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid (CID 82943097) is (2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid?
The canonical SMILES for (2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid is CCCOCCCNC(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid?
The InChIKey is KZVXAGAEQNCOOZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-6-16-7-4-5-11-10(15)12-8(2)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)/t8-/m1/s1.
What are the key properties of (2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid?
(2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-propoxypropylcarbamoylamino)propanoic acid is sourced from PubChem (CID 82943097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).