methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate

C15H29N3O4 — CID 5027932

IUPACmethyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H29N3O4/c1-12(2)11-13(14(19)21-3)17-15(20)16-5-4-6-18-7-9-22-10-8-18/h12-13H,4-11H2,1-3H3,(H2,16,17,20)
InChIKeyZABXKQKQSUCEGF-UHFFFAOYSA-N
MW315.41 g/mol
LogP0.60
Rot. Bonds8

About methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate

methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate (PubChem CID 5027932) has the molecular formula C15H29N3O4 and a molecular weight of 315.41 g/mol. Its IUPAC name is methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate
PubChem CID5027932
Molecular FormulaC15H29N3O4
Molecular Weight315.41 g/mol
Exact Mass315.22
IUPAC Namemethyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H29N3O4/c1-12(2)11-13(14(19)21-3)17-15(20)16-5-4-6-18-7-9-22-10-8-18/h12-13H,4-11H2,1-3H3,(H2,16,17,20)
InChIKeyZABXKQKQSUCEGF-UHFFFAOYSA-N
XLogP0.60
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
CID 78976341
(2S,3S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 61196351
(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 107566142
(2S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)butanoic acid
CID 7529272
methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate
CID 4221669
methyl 2-methyl-3-(3-morpholin-4-ylpropylamino)butanoate
CID 79392477
2-amino-3-methoxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 81081646
1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108911004
methyl 2-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoate
CID 5184575
2-(3-morpholin-4-ylpropylcarbamoylamino)ethyl 3,4-dimethyl-2-propan-2-ylpentanoate
CID 177124025

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate (CID 5027932) is methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate is COC(=O)C(CC(C)C)NC(=O)NCCCN1CCOCC1.
What is the InChIKey of methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate?
The InChIKey is ZABXKQKQSUCEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4/c1-12(2)11-13(14(19)21-3)17-15(20)16-5-4-6-18-7-9-22-10-8-18/h12-13H,4-11H2,1-3H3,(H2,16,17,20).
What are the key properties of methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate?
methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate has a molecular weight of 315.41 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate is sourced from PubChem (CID 5027932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).