(2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide

C11H21N3O3 — CID 124591529

IUPAC(2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCO[C@@H](C(N)=O)C1
InChIInChI=1S/C11H21N3O3/c1-3-7(2)9(12)11(16)14-4-5-17-8(6-14)10(13)15/h7-9H,3-6,12H2,1-2H3,(H2,13,15)/t7-,8+,9-/m0/s1
InChIKeyJQXLYRBCULUBPO-YIZRAAEISA-N
MW243.31 g/mol
LogP-0.93
Rot. Bonds4

About (2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide

(2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide (PubChem CID 124591529) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide
PubChem CID124591529
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCO[C@@H](C(N)=O)C1
InChIInChI=1S/C11H21N3O3/c1-3-7(2)9(12)11(16)14-4-5-17-8(6-14)10(13)15/h7-9H,3-6,12H2,1-2H3,(H2,13,15)/t7-,8+,9-/m0/s1
InChIKeyJQXLYRBCULUBPO-YIZRAAEISA-N
XLogP-0.93
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.93
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-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66433819
(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 61165503
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 60963891
2-amino-3-methyl-1-(2-methyl-1,4-oxazepan-4-yl)pentan-1-one
CID 62973813
(2S,3S)-2-amino-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 103950797
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
(2S,3S)-2-amino-3-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-one
CID 103833315
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641
(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 104940920
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
CID 119770437
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 103942735

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide (CID 124591529) is (2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide is CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@H](C(N)=O)C1.
What is the InChIKey of (2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide?
The InChIKey is JQXLYRBCULUBPO-YIZRAAEISA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-7(2)9(12)11(16)14-4-5-17-8(6-14)10(13)15/h7-9H,3-6,12H2,1-2H3,(H2,13,15)/t7-,8+,9-/m0/s1.
What are the key properties of (2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide?
(2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide is sourced from PubChem (CID 124591529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).