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

C14H27N3O4 — CID 4221669

IUPACmethyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate
SMILESCCC(C)C(NC(=O)NCCN1CCOCC1)C(=O)OC
InChIInChI=1S/C14H27N3O4/c1-4-11(2)12(13(18)20-3)16-14(19)15-5-6-17-7-9-21-10-8-17/h11-12H,4-10H2,1-3H3,(H2,15,16,19)
InChIKeyNHINASDRTMXAOA-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.21
Rot. Bonds7

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

methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate (PubChem CID 4221669) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate
PubChem CID4221669
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Namemethyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate
SMILESCCC(C)C(NC(=O)NCCN1CCOCC1)C(=O)OC
InChIInChI=1S/C14H27N3O4/c1-4-11(2)12(13(18)20-3)16-14(19)15-5-6-17-7-9-21-10-8-17/h11-12H,4-10H2,1-3H3,(H2,15,16,19)
InChIKeyNHINASDRTMXAOA-UHFFFAOYSA-N
XLogP0.21
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 61196351
3-methyl-2-(2-piperazin-1-ylethylcarbamoylamino)pentanoic acid
CID 61408451
bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
CID 134229716
methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate
CID 5027932
(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 67172232
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
methyl (2S,3S)-3-methyl-2-(2-methylpropylcarbamoylamino)pentanoate
CID 97038427
(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
CID 78976341
(2S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)butanoic acid
CID 7529272
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
2-amino-3-ethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 67174978
butan-2-yl N-(2-morpholin-4-ylethyl)carbamate;molecular hydrogen
CID 154661230

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate?
The IUPAC name of methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate (CID 4221669) is methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate.
What is the SMILES notation for methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate?
The canonical SMILES for methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate is CCC(C)C(NC(=O)NCCN1CCOCC1)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate?
The InChIKey is NHINASDRTMXAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-4-11(2)12(13(18)20-3)16-14(19)15-5-6-17-7-9-21-10-8-17/h11-12H,4-10H2,1-3H3,(H2,15,16,19).
What are the key properties of methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate?
methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate has a molecular weight of 301.39 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoate is sourced from PubChem (CID 4221669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).