2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid

C12H22N2O4 — CID 66433819

IUPAC2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
SMILESCCC(C)[C@H](N)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-3-8(2)11(13)12(17)14-4-5-18-9(7-14)6-10(15)16/h8-9,11H,3-7,13H2,1-2H3,(H,15,16)/t8?,9?,11-/m0/s1
InChIKeyFHFFHHZRCWIHPX-AMUVOQDHSA-N
MW258.32 g/mol
LogP0.06
Rot. Bonds5

About 2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid

2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid (PubChem CID 66433819) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
PubChem CID66433819
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
SMILESCCC(C)[C@H](N)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-3-8(2)11(13)12(17)14-4-5-18-9(7-14)6-10(15)16/h8-9,11H,3-7,13H2,1-2H3,(H,15,16)/t8?,9?,11-/m0/s1
InChIKeyFHFFHHZRCWIHPX-AMUVOQDHSA-N
XLogP0.06
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 81203815
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-[2-(carbamoylamino)-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66420571
(2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide
CID 124591529
2-[4-(2-butoxypropanoyl)morpholin-2-yl]acetic acid
CID 119248222
2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid
CID 64605406
2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid
CID 119248244
2-amino-3-methyl-1-(2-methyl-1,4-oxazepan-4-yl)pentan-1-one
CID 62973813
2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 116678324
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231
2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid
CID 79813878

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid (CID 66433819) is 2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid is CCC(C)[C@H](N)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid?
The InChIKey is FHFFHHZRCWIHPX-AMUVOQDHSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-8(2)11(13)12(17)14-4-5-18-9(7-14)6-10(15)16/h8-9,11H,3-7,13H2,1-2H3,(H,15,16)/t8?,9?,11-/m0/s1.
What are the key properties of 2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid?
2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).