2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid

C11H15N3O5 — CID 83095821

IUPAC2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C11H15N3O5/c1-2-3-13(6-9(15)16)11(18)14-4-5-19-7-8(14)10(12)17/h1,8H,3-7H2,(H2,12,17)(H,15,16)
InChIKeyBLZZOBHLHPCJBO-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.69
Rot. Bonds4

About 2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid

2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid (PubChem CID 83095821) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
PubChem CID83095821
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)N1CCOCC1C(N)=O
InChIInChI=1S/C11H15N3O5/c1-2-3-13(6-9(15)16)11(18)14-4-5-19-7-8(14)10(12)17/h1,8H,3-7H2,(H2,12,17)(H,15,16)
InChIKeyBLZZOBHLHPCJBO-UHFFFAOYSA-N
XLogP-1.69
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methoxycarbonylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 104774702
2-[(3-carbamoylmorpholine-4-carbonyl)-cyclopropylamino]acetic acid
CID 83095825
3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid
CID 83095443
2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-prop-2-ynylamino]acetic acid
CID 79284149
2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid
CID 63645478
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]-prop-2-ynylamino]acetic acid
CID 79284254
2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 104774718
2-[(3-methylthiomorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 79283937
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 83103394
4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341
2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 79283600
4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
CID 83101281

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid (CID 83095821) is 2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)C(=O)N1CCOCC1C(N)=O.
What is the InChIKey of 2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid?
The InChIKey is BLZZOBHLHPCJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-2-3-13(6-9(15)16)11(18)14-4-5-19-7-8(14)10(12)17/h1,8H,3-7H2,(H2,12,17)(H,15,16).
What are the key properties of 2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid?
2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid has a molecular weight of 269.26 g/mol, XLogP of -1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 83095821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).