4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid

C9H17N3O4 — CID 83016952

IUPAC4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NN1CCOCC1
InChIInChI=1S/C9H17N3O4/c10-7(1-2-8(13)14)9(15)11-12-3-5-16-6-4-12/h7H,1-6,10H2,(H,11,15)(H,13,14)
InChIKeyMJGMVVQTKCITAD-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.46
Rot. Bonds5

About 4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid

4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid (PubChem CID 83016952) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid
PubChem CID83016952
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NN1CCOCC1
InChIInChI=1S/C9H17N3O4/c10-7(1-2-8(13)14)9(15)11-12-3-5-16-6-4-12/h7H,1-6,10H2,(H,11,15)(H,13,14)
InChIKeyMJGMVVQTKCITAD-UHFFFAOYSA-N
XLogP-1.46
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-oxo-5-(piperidin-1-ylamino)pentanoic acid
CID 83021302
(2S)-2-amino-4-methyl-N-morpholin-4-ylpentanamide
CID 83016834
4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid
CID 64896395
(4S)-4-amino-5-morpholin-4-ylpentanoic acid
CID 97055085
(2S)-2-amino-3-methyl-N-morpholin-4-ylbutanamide;hydrochloride
CID 57484828
4-amino-5-hydrazinyl-5-oxopentanoic acid
CID 19915596
4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid
CID 123232497
(4S)-4-amino-5-(carbamoylamino)-5-oxopentanoic acid
CID 54163471
7-(morpholin-4-ylcarbamoylamino)heptanoic acid
CID 83020507
4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 64888566
2-aminopentanedioic acid
CID 611
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid (CID 83016952) is 4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NN1CCOCC1.
What is the InChIKey of 4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid?
The InChIKey is MJGMVVQTKCITAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c10-7(1-2-8(13)14)9(15)11-12-3-5-16-6-4-12/h7H,1-6,10H2,(H,11,15)(H,13,14).
What are the key properties of 4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid?
4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid has a molecular weight of 231.25 g/mol, XLogP of -1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid is sourced from PubChem (CID 83016952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).