(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid

C9H19NO4 — CID 103410935

IUPAC(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid
SMILESCOCCOCCCN[C@H](C)C(=O)O
InChIInChI=1S/C9H19NO4/c1-8(9(11)12)10-4-3-5-14-7-6-13-2/h8,10H,3-7H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyHGMMLWGZSCDOCN-MRVPVSSYSA-N
MW205.25 g/mol
LogP0.10
Rot. Bonds9

About (2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid

(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid (PubChem CID 103410935) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is (2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid
PubChem CID103410935
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid
SMILESCOCCOCCCN[C@H](C)C(=O)O
InChIInChI=1S/C9H19NO4/c1-8(9(11)12)10-4-3-5-14-7-6-13-2/h8,10H,3-7H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyHGMMLWGZSCDOCN-MRVPVSSYSA-N
XLogP0.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
N-cyclopropyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
CID 113248240
N-(3-methoxypropyl)-2-(3-propoxypropylamino)propanamide
CID 82943912
2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate
CID 103178278
N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
CID 115600082
N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 28720947
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
N-[3-(2-methoxyethoxy)propyl]-5-methylhexan-2-amine
CID 43206916
nitric acid;(2S)-2-(3-nitrooxypropylamino)propanoic acid
CID 118438191
2-(pentylamino)propanoic acid
CID 43467235
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-4-methylpentan-2-amine
CID 43147222
4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine
CID 103413141

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid?
The IUPAC name of (2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid (CID 103410935) is (2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid?
The canonical SMILES for (2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid is COCCOCCCN[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid?
The InChIKey is HGMMLWGZSCDOCN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-8(9(11)12)10-4-3-5-14-7-6-13-2/h8,10H,3-7H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid?
(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid has a molecular weight of 205.25 g/mol, XLogP of 0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid is sourced from PubChem (CID 103410935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).