2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid

C9H18N2O3 — CID 64599478

IUPAC2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
SMILESCOCC1CCN(CC(N)C(=O)O)C1
InChIInChI=1S/C9H18N2O3/c1-14-6-7-2-3-11(4-7)5-8(10)9(12)13/h7-8H,2-6,10H2,1H3,(H,12,13)
InChIKeyYXGKNXIDONSCQF-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.63
Rot. Bonds5

About 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid

2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid (PubChem CID 64599478) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
PubChem CID64599478
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
SMILESCOCC1CCN(CC(N)C(=O)O)C1
InChIInChI=1S/C9H18N2O3/c1-14-6-7-2-3-11(4-7)5-8(10)9(12)13/h7-8H,2-6,10H2,1H3,(H,12,13)
InChIKeyYXGKNXIDONSCQF-UHFFFAOYSA-N
XLogP-0.63
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propanoic acid
CID 80995914
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
CID 64583951
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate
CID 64582141
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 64581345
7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine
CID 65296099
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine
CID 64570092
methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
CID 83981066

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid (CID 64599478) is 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid is COCC1CCN(CC(N)C(=O)O)C1.
What is the InChIKey of 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid?
The InChIKey is YXGKNXIDONSCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-14-6-7-2-3-11(4-7)5-8(10)9(12)13/h7-8H,2-6,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid?
2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 64599478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).