2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid

C10H19NO5 — CID 103257016

IUPAC2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid
SMILESCOCC(NCC1(O)CCOCC1)C(=O)O
InChIInChI=1S/C10H19NO5/c1-15-6-8(9(12)13)11-7-10(14)2-4-16-5-3-10/h8,11,14H,2-7H2,1H3,(H,12,13)
InChIKeyPFFZKEAFIWEXJW-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.78
Rot. Bonds6

About 2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid

2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid (PubChem CID 103257016) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid
PubChem CID103257016
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid
SMILESCOCC(NCC1(O)CCOCC1)C(=O)O
InChIInChI=1S/C10H19NO5/c1-15-6-8(9(12)13)11-7-10(14)2-4-16-5-3-10/h8,11,14H,2-7H2,1H3,(H,12,13)
InChIKeyPFFZKEAFIWEXJW-UHFFFAOYSA-N
XLogP-0.78
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid
CID 103268359
methyl 2-[(4-hydroxyoxan-4-yl)methylamino]butanoate
CID 115353524
methyl 2-[(4-hydroxyoxan-4-yl)methylamino]hexanoate
CID 103257015
methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100069
3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 103259883
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]butanoic acid
CID 65121052
4-[(methoxyamino)methyl]oxan-4-ol
CID 130638339
4-[(propan-2-ylamino)methyl]oxepan-4-ol
CID 65080987
3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid
CID 103263977
N-butyl-2-[(4-hydroxyoxan-4-yl)methylamino]propanamide
CID 81131394
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 81130287

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid (CID 103257016) is 2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid is COCC(NCC1(O)CCOCC1)C(=O)O.
What is the InChIKey of 2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid?
The InChIKey is PFFZKEAFIWEXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-15-6-8(9(12)13)11-7-10(14)2-4-16-5-3-10/h8,11,14H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid?
2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid has a molecular weight of 233.26 g/mol, XLogP of -0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 103257016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).