2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide

C15H26N4O3 — CID 129330452

IUPAC2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide
SMILESCN1CCO[C@H](CN(CC(N)=O)C(=O)N[C@H]2C=CCCC2)C1
InChIInChI=1S/C15H26N4O3/c1-18-7-8-22-13(9-18)10-19(11-14(16)20)15(21)17-12-5-3-2-4-6-12/h3,5,12-13H,2,4,6-11H2,1H3,(H2,16,20)(H,17,21)/t12-,13-/m0/s1
InChIKeyAQJNALRSVNCMAJ-STQMWFEESA-N
MW310.40 g/mol
LogP-0.08
Rot. Bonds5

About 2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide

2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide (PubChem CID 129330452) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide
PubChem CID129330452
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide
SMILESCN1CCO[C@H](CN(CC(N)=O)C(=O)N[C@H]2C=CCCC2)C1
InChIInChI=1S/C15H26N4O3/c1-18-7-8-22-13(9-18)10-19(11-14(16)20)15(21)17-12-5-3-2-4-6-12/h3,5,12-13H,2,4,6-11H2,1H3,(H2,16,20)(H,17,21)/t12-,13-/m0/s1
InChIKeyAQJNALRSVNCMAJ-STQMWFEESA-N
XLogP-0.08
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide
CID 129341772
2-[(2-cyclohexyloxyacetyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 128970226
2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 128996448
2-[furan-3-ylmethylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 154753725
trans-(1S,2S)-N-(2-amino-2-oxoethyl)-2-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclopropane-1-carboxamide
CID 129332929
2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid
CID 107440392
2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide
CID 124875437
3-cyclobutyl-N-(cyclopropylmethyl)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 129331809
2-[cyclopentyl-[(4-methylmorpholin-2-yl)methyl]amino]-N'-hydroxyethanimidamide
CID 79172237
2-[[(2R)-4-methylmorpholin-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 129323420
2-[(4-methylmorpholin-2-yl)methyl-propan-2-ylamino]acetic acid
CID 79182955
1-(cyclopropylmethyl)-1-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
CID 129476167

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide?
The IUPAC name of 2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide (CID 129330452) is 2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide.
What is the SMILES notation for 2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide?
The canonical SMILES for 2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide is CN1CCO[C@H](CN(CC(N)=O)C(=O)N[C@H]2C=CCCC2)C1.
What is the InChIKey of 2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide?
The InChIKey is AQJNALRSVNCMAJ-STQMWFEESA-N. The full InChI is InChI=1S/C15H26N4O3/c1-18-7-8-22-13(9-18)10-19(11-14(16)20)15(21)17-12-5-3-2-4-6-12/h3,5,12-13H,2,4,6-11H2,1H3,(H2,16,20)(H,17,21)/t12-,13-/m0/s1.
What are the key properties of 2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide?
2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide has a molecular weight of 310.40 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 129330452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).