[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium

C14H27N4O4+ — CID 8711764

IUPAC[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
SMILESCC[C@H](C)NC(=O)NC(=O)C[NH+](C)CC(=O)N1CCOCC1
InChIInChI=1S/C14H26N4O4/c1-4-11(2)15-14(21)16-12(19)9-17(3)10-13(20)18-5-7-22-8-6-18/h11H,4-10H2,1-3H3,(H2,15,16,19,21)/p+1/t11-/m0/s1
InChIKeyDKYLWOYNYQXXCB-NSHDSACASA-O
MW315.39 g/mol
LogP-2.02
Rot. Bonds6

About [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium (PubChem CID 8711764) has the molecular formula C14H27N4O4+ and a molecular weight of 315.39 g/mol. Its IUPAC name is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium.

Molecular Properties

Compound Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
PubChem CID8711764
Molecular FormulaC14H27N4O4+
Molecular Weight315.39 g/mol
Exact Mass315.20
IUPAC Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
SMILESCC[C@H](C)NC(=O)NC(=O)C[NH+](C)CC(=O)N1CCOCC1
InChIInChI=1S/C14H26N4O4/c1-4-11(2)15-14(21)16-12(19)9-17(3)10-13(20)18-5-7-22-8-6-18/h11H,4-10H2,1-3H3,(H2,15,16,19,21)/p+1/t11-/m0/s1
InChIKeyDKYLWOYNYQXXCB-NSHDSACASA-O
XLogP-2.02
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium with MolForge

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Launch Full Analysis

Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711610
N-[[(2R)-butan-2-yl]carbamoyl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711763
methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8693187
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711796
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711780
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9338595
N-[[(2R)-butan-2-yl]carbamoyl]-2-morpholin-4-ium-4-ylacetamide
CID 8903819
methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8588773
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907739
[2-(3,5-dichloroanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711406
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711432
methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
CID 8711428

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
The IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium (CID 8711764) is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium.
What is the SMILES notation for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
The canonical SMILES for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium is CC[C@H](C)NC(=O)NC(=O)C[NH+](C)CC(=O)N1CCOCC1.
What is the InChIKey of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
The InChIKey is DKYLWOYNYQXXCB-NSHDSACASA-O. The full InChI is InChI=1S/C14H26N4O4/c1-4-11(2)15-14(21)16-12(19)9-17(3)10-13(20)18-5-7-22-8-6-18/h11H,4-10H2,1-3H3,(H2,15,16,19,21)/p+1/t11-/m0/s1.
What are the key properties of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium?
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium has a molecular weight of 315.39 g/mol, XLogP of -2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium is sourced from PubChem (CID 8711764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).