(2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid

C11H21NO4 — CID 97098347

IUPAC(2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid
SMILESCCCCCOCC(=O)N(C)[C@H](C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-5-6-7-16-8-10(13)12(3)9(2)11(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyIPAJFSWVLMZVTJ-SECBINFHSA-N
MW231.29 g/mol
LogP1.12
Rot. Bonds8

About (2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid

(2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid (PubChem CID 97098347) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid
PubChem CID97098347
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid
SMILESCCCCCOCC(=O)N(C)[C@H](C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-5-6-7-16-8-10(13)12(3)9(2)11(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyIPAJFSWVLMZVTJ-SECBINFHSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[heptanoyl(methyl)amino]propanoic acid
CID 62626215
(2S)-2-[methyl(octadecanoyl)amino]propanoic acid
CID 20689915
2-[methyl(pentanoyl)amino]propanoic acid
CID 62627616
2-[methyl-(2-propoxyacetyl)amino]butanoic acid
CID 107937887
2-pentadecoxyacetic acid
CID 19866534
2-nonadecoxyacetic acid
CID 91373626
2-octadecoxyacetic acid
CID 4147678
3-methyl-1-octoxybutan-2-one
CID 79395120
2-(3-pentoxypropoxy)acetic acid
CID 87690059
sodium;2-decoxyacetic acid;hydride
CID 173154900
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716151
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716129

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid (CID 97098347) is (2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid is CCCCCOCC(=O)N(C)[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid?
The InChIKey is IPAJFSWVLMZVTJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-5-6-7-16-8-10(13)12(3)9(2)11(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid?
(2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-(2-pentoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 97098347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).