2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid

C13H21N3O5 — CID 83098734

IUPAC2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid
SMILESNC(=O)C1COCCN1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H21N3O5/c14-12(19)10-8-21-6-5-16(10)13(20)15-3-1-9(2-4-15)7-11(17)18/h9-10H,1-8H2,(H2,14,19)(H,17,18)
InChIKeySPEQEQISNZVOMO-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.52
Rot. Bonds3

About 2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid

2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 83098734) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid
PubChem CID83098734
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid
SMILESNC(=O)C1COCCN1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H21N3O5/c14-12(19)10-8-21-6-5-16(10)13(20)15-3-1-9(2-4-15)7-11(17)18/h9-10H,1-8H2,(H2,14,19)(H,17,18)
InChIKeySPEQEQISNZVOMO-UHFFFAOYSA-N
XLogP-0.52
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83095359
2-[(3-carbamoylmorpholine-4-carbonyl)-cyclopropylamino]acetic acid
CID 83095825
1-(3-carbamoylmorpholine-4-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 83098763
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid
CID 62691356
2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64617831
4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
CID 83101281
2-[1-[4-[2-[4-[[4-(aminomethyl)phenyl]carbamoylamino]phenyl]acetyl]morpholine-3-carbonyl]piperidin-4-yl]acetic acid
CID 170169887
4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide
CID 83101952
4-(3-piperidin-4-ylpropanoyl)morpholine-3-carboxamide
CID 83102635
1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 83104275
3-[(3-carbamoylmorpholine-4-carbonyl)-ethylamino]butanoic acid
CID 83095443

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid (CID 83098734) is 2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid is NC(=O)C1COCCN1C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is SPEQEQISNZVOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c14-12(19)10-8-21-6-5-16(10)13(20)15-3-1-9(2-4-15)7-11(17)18/h9-10H,1-8H2,(H2,14,19)(H,17,18).
What are the key properties of 2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 299.33 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-carbamoylmorpholine-4-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 83098734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).