4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid

C12H20N2O6 — CID 115535367

IUPAC4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCOC(=O)C1CN(C(=O)NC(C)CCC(=O)O)CCO1
InChIInChI=1S/C12H20N2O6/c1-8(3-4-10(15)16)13-12(18)14-5-6-20-9(7-14)11(17)19-2/h8-9H,3-7H2,1-2H3,(H,13,18)(H,15,16)
InChIKeyPNKOUPPHUNLMBK-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.18
Rot. Bonds5

About 4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid

4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid (PubChem CID 115535367) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
PubChem CID115535367
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCOC(=O)C1CN(C(=O)NC(C)CCC(=O)O)CCO1
InChIInChI=1S/C12H20N2O6/c1-8(3-4-10(15)16)13-12(18)14-5-6-20-9(7-14)11(17)19-2/h8-9H,3-7H2,1-2H3,(H,13,18)(H,15,16)
InChIKeyPNKOUPPHUNLMBK-UHFFFAOYSA-N
XLogP-0.18
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid
CID 115535343
methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate
CID 122133360
(2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid
CID 107828590
2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 115535345
2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
CID 113330572
2-hydroxy-3-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 115535386
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
CID 113330591
2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
methyl 4-(2-bromo-3-methylbutanoyl)morpholine-2-carboxylate
CID 115534240
methyl 4-(2-acetamidoacetyl)morpholine-2-carboxylate
CID 78927137
methyl 4-(2-cyclopropylpropanoyl)morpholine-2-carboxylate
CID 79506957

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid (CID 115535367) is 4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid is COC(=O)C1CN(C(=O)NC(C)CCC(=O)O)CCO1.
What is the InChIKey of 4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid?
The InChIKey is PNKOUPPHUNLMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-8(3-4-10(15)16)13-12(18)14-5-6-20-9(7-14)11(17)19-2/h8-9H,3-7H2,1-2H3,(H,13,18)(H,15,16).
What are the key properties of 4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid?
4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid has a molecular weight of 288.30 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 115535367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).