3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol

C11H22N2O3 — CID 21128423

IUPAC3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol
SMILESCN1CCCC(O)C1.O=C(O)CCN1CC1
InChIInChI=1S/C6H13NO.C5H9NO2/c1-7-4-2-3-6(8)5-7;7-5(8)1-2-6-3-4-6/h6,8H,2-5H2,1H3;1-4H2,(H,7,8)
InChIKeyHUBHTMAYJBYZDY-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.15
Rot. Bonds3

About 3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol

3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol (PubChem CID 21128423) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol.

Molecular Properties

Compound Name3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol
PubChem CID21128423
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol
SMILESCN1CCCC(O)C1.O=C(O)CCN1CC1
InChIInChI=1S/C6H13NO.C5H9NO2/c1-7-4-2-3-6(8)5-7;7-5(8)1-2-6-3-4-6/h6,8H,2-5H2,1H3;1-4H2,(H,7,8)
InChIKeyHUBHTMAYJBYZDY-UHFFFAOYSA-N
XLogP-0.15
TPSA63.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-methylazepan-3-ol
CID 22636113
3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid
CID 43560613
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]propanoic acid
CID 82892323
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid
CID 121200949
3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
CID 61201618
3-[10-(2-carboxyethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propanoic acid
CID 22889167
3-(4-hexyl-1,4-diazepan-1-yl)propanoic acid
CID 82323042
1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one
CID 116918923
3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid
CID 84755522
3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 115560854

Frequently Asked Questions

What is the IUPAC name of 3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol?
The IUPAC name of 3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol (CID 21128423) is 3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol.
What is the SMILES notation for 3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol?
The canonical SMILES for 3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol is CN1CCCC(O)C1.O=C(O)CCN1CC1.
What is the InChIKey of 3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol?
The InChIKey is HUBHTMAYJBYZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C5H9NO2/c1-7-4-2-3-6(8)5-7;7-5(8)1-2-6-3-4-6/h6,8H,2-5H2,1H3;1-4H2,(H,7,8).
What are the key properties of 3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol?
3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol has a molecular weight of 230.31 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol is sourced from PubChem (CID 21128423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).