2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid

C9H17NO4 — CID 103268359

IUPAC2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid
SMILESCOCC(NCC1(O)CCC1)C(=O)O
InChIInChI=1S/C9H17NO4/c1-14-5-7(8(11)12)10-6-9(13)3-2-4-9/h7,10,13H,2-6H2,1H3,(H,11,12)
InChIKeyHBSNBAKPQNWDMU-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.41
Rot. Bonds6

About 2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid

2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid (PubChem CID 103268359) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid
PubChem CID103268359
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid
SMILESCOCC(NCC1(O)CCC1)C(=O)O
InChIInChI=1S/C9H17NO4/c1-14-5-7(8(11)12)10-6-9(13)3-2-4-9/h7,10,13H,2-6H2,1H3,(H,11,12)
InChIKeyHBSNBAKPQNWDMU-UHFFFAOYSA-N
XLogP-0.41
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid
CID 103257016
3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 103259883
1-[(1-methoxypropan-2-ylamino)methyl]cyclopentan-1-ol
CID 65107675
2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid
CID 103253670
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
2-[(1-hydroxycyclopentyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65109266
2-(cyclopentylmethylamino)-3-methoxypropanoic acid
CID 103237734
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]butanoic acid
CID 65121052
methyl 4-[(1-hydroxycyclobutyl)methylamino]-2-methylpentanoate
CID 104646340
2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65123309
3-methoxy-2-[(1-methylcyclopropyl)amino]propanoic acid
CID 103263977

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid (CID 103268359) is 2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid is COCC(NCC1(O)CCC1)C(=O)O.
What is the InChIKey of 2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid?
The InChIKey is HBSNBAKPQNWDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-14-5-7(8(11)12)10-6-9(13)3-2-4-9/h7,10,13H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid?
2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclobutyl)methylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 103268359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).