[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium

C16H20N3O2+ — CID 8695317

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium
SMILESC[C@@H]([NH2+][C@H](C)c1cccc2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C16H19N3O2/c1-10(18-11(2)15(20)19-16(17)21)13-9-5-7-12-6-3-4-8-14(12)13/h3-11,18H,1-2H3,(H3,17,19,20,21)/p+1/t10-,11-/m1/s1
InChIKeyBZVQPURRMGIBAY-GHMZBOCLSA-O
MW286.36 g/mol
LogP1.05
Rot. Bonds4

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium (PubChem CID 8695317) has the molecular formula C16H20N3O2+ and a molecular weight of 286.36 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium
PubChem CID8695317
Molecular FormulaC16H20N3O2+
Molecular Weight286.36 g/mol
Exact Mass286.16
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium
SMILESC[C@@H]([NH2+][C@H](C)c1cccc2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C16H19N3O2/c1-10(18-11(2)15(20)19-16(17)21)13-9-5-7-12-6-3-4-8-14(12)13/h3-11,18H,1-2H3,(H3,17,19,20,21)/p+1/t10-,11-/m1/s1
InChIKeyBZVQPURRMGIBAY-GHMZBOCLSA-O
XLogP1.05
TPSA88.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-naphthalen-1-ylethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8695425
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 8695295
2-naphthalen-1-ylpropanehydrazide
CID 116843953
[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9045143
2-amino-2-naphthalen-1-yl-N-propan-2-ylacetamide
CID 23548500
[2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396803
[(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 9368994
2-(methylamino)-2-naphthalen-1-ylacetamide
CID 60797146
1-naphthalen-1-ylethyl carbamate
CID 14959373
3-naphthalen-1-ylbutanoic acid
CID 43211329
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 140522394

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium (CID 8695317) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium is C[C@@H]([NH2+][C@H](C)c1cccc2ccccc12)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
The InChIKey is BZVQPURRMGIBAY-GHMZBOCLSA-O. The full InChI is InChI=1S/C16H19N3O2/c1-10(18-11(2)15(20)19-16(17)21)13-9-5-7-12-6-3-4-8-14(12)13/h3-11,18H,1-2H3,(H3,17,19,20,21)/p+1/t10-,11-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium has a molecular weight of 286.36 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1R)-1-naphthalen-1-ylethyl]azanium is sourced from PubChem (CID 8695317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).