2-(4-pent-3-ynylmorpholin-3-yl)acetic acid

C11H17NO3 — CID 104808814

IUPAC2-(4-pent-3-ynylmorpholin-3-yl)acetic acid
SMILESCC#CCCN1CCOCC1CC(=O)O
InChIInChI=1S/C11H17NO3/c1-2-3-4-5-12-6-7-15-9-10(12)8-11(13)14/h10H,4-9H2,1H3,(H,13,14)
InChIKeyMTRZEHPMJQJYMB-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.58
Rot. Bonds4

About 2-(4-pent-3-ynylmorpholin-3-yl)acetic acid

2-(4-pent-3-ynylmorpholin-3-yl)acetic acid (PubChem CID 104808814) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(4-pent-3-ynylmorpholin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-pent-3-ynylmorpholin-3-yl)acetic acid
PubChem CID104808814
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(4-pent-3-ynylmorpholin-3-yl)acetic acid
SMILESCC#CCCN1CCOCC1CC(=O)O
InChIInChI=1S/C11H17NO3/c1-2-3-4-5-12-6-7-15-9-10(12)8-11(13)14/h10H,4-9H2,1H3,(H,13,14)
InChIKeyMTRZEHPMJQJYMB-UHFFFAOYSA-N
XLogP0.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid
CID 116522763
2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid
CID 117009339
3-(4-butylmorpholin-3-yl)propanoic acid
CID 117009382
2-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]morpholin-3-yl]acetic acid
CID 83084462
2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid
CID 74243764
2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid
CID 95726395
3-[4-(2-methoxyethyl)morpholin-3-yl]propanoic acid
CID 117009385
2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid
CID 117009349
2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid
CID 46993756
2-[4-(4-acetylphenyl)morpholin-3-yl]acetic acid
CID 117009369
2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
CID 129414261
2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid
CID 95716426

Frequently Asked Questions

What is the IUPAC name of 2-(4-pent-3-ynylmorpholin-3-yl)acetic acid?
The IUPAC name of 2-(4-pent-3-ynylmorpholin-3-yl)acetic acid (CID 104808814) is 2-(4-pent-3-ynylmorpholin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-pent-3-ynylmorpholin-3-yl)acetic acid?
The canonical SMILES for 2-(4-pent-3-ynylmorpholin-3-yl)acetic acid is CC#CCCN1CCOCC1CC(=O)O.
What is the InChIKey of 2-(4-pent-3-ynylmorpholin-3-yl)acetic acid?
The InChIKey is MTRZEHPMJQJYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-3-4-5-12-6-7-15-9-10(12)8-11(13)14/h10H,4-9H2,1H3,(H,13,14).
What are the key properties of 2-(4-pent-3-ynylmorpholin-3-yl)acetic acid?
2-(4-pent-3-ynylmorpholin-3-yl)acetic acid has a molecular weight of 211.26 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pent-3-ynylmorpholin-3-yl)acetic acid is sourced from PubChem (CID 104808814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).