(2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid

C14H27N3O5 — CID 89283477

IUPAC(2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid
SMILESCCCCOC[C@@H](NC)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C14H27N3O5/c1-5-6-7-22-8-11(15-4)13(19)16-9(2)12(18)17-10(3)14(20)21/h9-11,15H,5-8H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-,11-/m1/s1
InChIKeyMSIZVFMVABTAAT-GMTAPVOTSA-N
MW317.39 g/mol
LogP-0.51
Rot. Bonds11

About (2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid

(2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid (PubChem CID 89283477) has the molecular formula C14H27N3O5 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid
PubChem CID89283477
Molecular FormulaC14H27N3O5
Molecular Weight317.39 g/mol
Exact Mass317.20
IUPAC Name(2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid
SMILESCCCCOC[C@@H](NC)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C14H27N3O5/c1-5-6-7-22-8-11(15-4)13(19)16-9(2)12(18)17-10(3)14(20)21/h9-11,15H,5-8H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-,11-/m1/s1
InChIKeyMSIZVFMVABTAAT-GMTAPVOTSA-N
XLogP-0.51
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid with MolForge

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Related Compounds

(2R)-3-butoxy-2-(methylamino)propanoic acid
CID 89283521
(2S)-2-(methylamino)-3-propoxypropanoic acid
CID 142490785
3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
methyl (2R)-3-butoxy-2-methylpropanoate
CID 88918019
2-(2-methylundecanoylamino)propanoic acid
CID 89211024
2-butoxyethyl 2-(methylamino)propanoate
CID 62638365
(2S)-2-[2-(carbamoylamino)hexanoylamino]propanoic acid
CID 119942919
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid
CID 104565015
2-(methylamino)-4-pentoxybutanoic acid
CID 63034607
(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]hexanoic acid
CID 139904392
(2S)-2-(3-decoxypropanoylamino)propanoic acid
CID 57083473

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid (CID 89283477) is (2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid is CCCCOC[C@@H](NC)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid?
The InChIKey is MSIZVFMVABTAAT-GMTAPVOTSA-N. The full InChI is InChI=1S/C14H27N3O5/c1-5-6-7-22-8-11(15-4)13(19)16-9(2)12(18)17-10(3)14(20)21/h9-11,15H,5-8H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-,11-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid?
(2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid has a molecular weight of 317.39 g/mol, XLogP of -0.51, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propanoic acid is sourced from PubChem (CID 89283477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).