(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid

C13H25N3O4 — CID 107566142

IUPAC(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NCCCN1CCOCC1)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-2-4-11(12(17)18)15-13(19)14-5-3-6-16-7-9-20-10-8-16/h11H,2-10H2,1H3,(H,17,18)(H2,14,15,19)/t11-/m1/s1
InChIKeyWZTZDGRNMFFRKN-LLVKDONJSA-N
MW287.36 g/mol
LogP0.26
Rot. Bonds8

About (2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid

(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid (PubChem CID 107566142) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
PubChem CID107566142
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NCCCN1CCOCC1)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-2-4-11(12(17)18)15-13(19)14-5-3-6-16-7-9-20-10-8-16/h11H,2-10H2,1H3,(H,17,18)(H2,14,15,19)/t11-/m1/s1
InChIKeyWZTZDGRNMFFRKN-LLVKDONJSA-N
XLogP0.26
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-pyrrolidin-1-ylpropylcarbamoylamino)hexanoic acid
CID 107146051
(2S,3S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 61196351
(2S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)butanoic acid
CID 7529272
(2S)-4-methylsulfanyl-2-(2-morpholin-4-ylethylcarbamoylamino)butanoic acid
CID 2017769
(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
CID 78976341
methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate
CID 5027932
(2R)-4-hydroxy-2-(3-pyrrolidin-1-ylpropylcarbamoylamino)butanoic acid
CID 114005613
ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate
CID 83038145
2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid
CID 65093773
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid
CID 107565964
1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108911004
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid (CID 107566142) is (2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid is CCC[C@@H](NC(=O)NCCCN1CCOCC1)C(=O)O.
What is the InChIKey of (2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid?
The InChIKey is WZTZDGRNMFFRKN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-2-4-11(12(17)18)15-13(19)14-5-3-6-16-7-9-20-10-8-16/h11H,2-10H2,1H3,(H,17,18)(H2,14,15,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid?
(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107566142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).