(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid

C12H22N2O4 — CID 107566263

IUPAC(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CCOCC1CC)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-5-10(11(15)16)13-12(17)14-6-7-18-8-9(14)4-2/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)/t9?,10-/m0/s1
InChIKeyRWQWEATVSOZNLH-AXDSSHIGSA-N
MW258.32 g/mol
LogP1.06
Rot. Bonds5

About (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid

(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid (PubChem CID 107566263) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
PubChem CID107566263
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CCOCC1CC)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-5-10(11(15)16)13-12(17)14-6-7-18-8-9(14)4-2/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)/t9?,10-/m0/s1
InChIKeyRWQWEATVSOZNLH-AXDSSHIGSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305374
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 104877480
3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 113416503
(2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566402
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107829269
(2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid
CID 107841289
4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61227566
(3R)-3-ethyl-N-[(2S)-4-ethylsulfanylbutan-2-yl]morpholine-4-carboxamide
CID 95969405
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid
CID 107146454
2-[(3-methylmorpholine-4-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61209766
(2R)-2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]pentanoic acid
CID 107567722
(2R)-2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)pentanoic acid
CID 107566655

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid (CID 107566263) is (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)N1CCOCC1CC)C(=O)O.
What is the InChIKey of (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid?
The InChIKey is RWQWEATVSOZNLH-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-5-10(11(15)16)13-12(17)14-6-7-18-8-9(14)4-2/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid?
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107566263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).