[2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium

C16H19N2O3+ — CID 9396803

IUPAC[2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
SMILESCOC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-11(17-10-15(19)18-16(20)21-2)13-9-5-7-12-6-3-4-8-14(12)13/h3-9,11,17H,10H2,1-2H3,(H,18,19,20)/p+1/t11-/m0/s1
InChIKeyMENYFBAHBKVDBF-NSHDSACASA-O
MW287.34 g/mol
LogP1.35
Rot. Bonds4

About [2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium

[2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium (PubChem CID 9396803) has the molecular formula C16H19N2O3+ and a molecular weight of 287.34 g/mol. Its IUPAC name is [2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium.

Molecular Properties

Compound Name[2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
PubChem CID9396803
Molecular FormulaC16H19N2O3+
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name[2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
SMILESCOC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C16H18N2O3/c1-11(17-10-15(19)18-16(20)21-2)13-9-5-7-12-6-3-4-8-14(12)13/h3-9,11,17H,10H2,1-2H3,(H,18,19,20)/p+1/t11-/m0/s1
InChIKeyMENYFBAHBKVDBF-NSHDSACASA-O
XLogP1.35
TPSA72.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-naphthalen-1-ylethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9396559
[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397161
[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9396462
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397393
[2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397491
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397352
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397675
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396987
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397445
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397868
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397020
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397333

Frequently Asked Questions

What is the IUPAC name of [2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
The IUPAC name of [2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium (CID 9396803) is [2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium.
What is the SMILES notation for [2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
The canonical SMILES for [2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium is COC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc2ccccc12.
What is the InChIKey of [2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
The InChIKey is MENYFBAHBKVDBF-NSHDSACASA-O. The full InChI is InChI=1S/C16H18N2O3/c1-11(17-10-15(19)18-16(20)21-2)13-9-5-7-12-6-3-4-8-14(12)13/h3-9,11,17H,10H2,1-2H3,(H,18,19,20)/p+1/t11-/m0/s1.
What are the key properties of [2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
[2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium has a molecular weight of 287.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium is sourced from PubChem (CID 9396803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).