(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid

C11H18N4O6 — CID 83098558

IUPAC(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)N1CCOCC1C(N)=O)C(=O)O
InChIInChI=1S/C11H18N4O6/c12-8(16)2-1-6(10(18)19)14-11(20)15-3-4-21-5-7(15)9(13)17/h6-7H,1-5H2,(H2,12,16)(H2,13,17)(H,14,20)(H,18,19)/t6-,7?/m0/s1
InChIKeyXQFOJPXJMWVGIE-PKPIPKONSA-N
MW302.29 g/mol
LogP-2.40
Rot. Bonds6

About (2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 83098558) has the molecular formula C11H18N4O6 and a molecular weight of 302.29 g/mol. Its IUPAC name is (2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
PubChem CID83098558
Molecular FormulaC11H18N4O6
Molecular Weight302.29 g/mol
Exact Mass302.12
IUPAC Name(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)N1CCOCC1C(N)=O)C(=O)O
InChIInChI=1S/C11H18N4O6/c12-8(16)2-1-6(10(18)19)14-11(20)15-3-4-21-5-7(15)9(13)17/h6-7H,1-5H2,(H2,12,16)(H2,13,17)(H,14,20)(H,18,19)/t6-,7?/m0/s1
InChIKeyXQFOJPXJMWVGIE-PKPIPKONSA-N
XLogP-2.40
TPSA165.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830729
2-[(3-carbamoylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 83095908
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid
CID 107146454
3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774698
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103752
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83103899
4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61227566
5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 61201292
(2R)-2-[[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]amino]butanoic acid
CID 83104584
(2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61199399
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566263
(2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid
CID 107841289

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid (CID 83098558) is (2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid is NC(=O)CC[C@H](NC(=O)N1CCOCC1C(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is XQFOJPXJMWVGIE-PKPIPKONSA-N. The full InChI is InChI=1S/C11H18N4O6/c12-8(16)2-1-6(10(18)19)14-11(20)15-3-4-21-5-7(15)9(13)17/h6-7H,1-5H2,(H2,12,16)(H2,13,17)(H,14,20)(H,18,19)/t6-,7?/m0/s1.
What are the key properties of (2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 302.29 g/mol, XLogP of -2.40, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 83098558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).