2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid

C13H23N3O5 — CID 66420571

IUPAC2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid
SMILESCCC(C)C(NC(N)=O)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H23N3O5/c1-3-8(2)11(15-13(14)20)12(19)16-4-5-21-9(7-16)6-10(17)18/h8-9,11H,3-7H2,1-2H3,(H,17,18)(H3,14,15,20)
InChIKeyXWNYHMNSLAEHML-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.23
Rot. Bonds6

About 2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid

2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid (PubChem CID 66420571) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid
PubChem CID66420571
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid
SMILESCCC(C)C(NC(N)=O)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H23N3O5/c1-3-8(2)11(15-13(14)20)12(19)16-4-5-21-9(7-16)6-10(17)18/h8-9,11H,3-7H2,1-2H3,(H,17,18)(H3,14,15,20)
InChIKeyXWNYHMNSLAEHML-UHFFFAOYSA-N
XLogP-0.23
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66433819
2-[4-[3-methyl-2-(3-methylbutanoylamino)butanoyl]morpholin-2-yl]acetic acid
CID 119248962
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid
CID 119248244
1-[2-(carbamoylamino)-3-methylpentanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720993
[1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 112627448
(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea
CID 60634981
2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid
CID 119248222
(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea
CID 60634937
2-[(2-ethylmorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 61203036
[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]urea
CID 43391802
2-[4-[2-(cyclopentanecarbonylamino)propanoyl]morpholin-2-yl]acetic acid
CID 119248775

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid (CID 66420571) is 2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid is CCC(C)C(NC(N)=O)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid?
The InChIKey is XWNYHMNSLAEHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-3-8(2)11(15-13(14)20)12(19)16-4-5-21-9(7-16)6-10(17)18/h8-9,11H,3-7H2,1-2H3,(H,17,18)(H3,14,15,20).
What are the key properties of 2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid?
2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid has a molecular weight of 301.34 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66420571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).