[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium

C16H24N3O2+ — CID 8859206

IUPAC[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C(=O)NC(N)=O
InChIInChI=1S/C16H23N3O2/c1-10(18-11(2)15(20)19-16(17)21)13-8-7-12-5-3-4-6-14(12)9-13/h7-11,18H,3-6H2,1-2H3,(H3,17,19,20,21)/p+1/t10-,11-/m0/s1
InChIKeyDEQRDYOVVWHOJT-QWRGUYRKSA-O
MW290.39 g/mol
LogP0.77
Rot. Bonds4

About [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium (PubChem CID 8859206) has the molecular formula C16H24N3O2+ and a molecular weight of 290.39 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium
PubChem CID8859206
Molecular FormulaC16H24N3O2+
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium
SMILESC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C(=O)NC(N)=O
InChIInChI=1S/C16H23N3O2/c1-10(18-11(2)15(20)19-16(17)21)13-8-7-12-5-3-4-6-14(12)9-13/h7-11,18H,3-6H2,1-2H3,(H3,17,19,20,21)/p+1/t10-,11-/m0/s1
InChIKeyDEQRDYOVVWHOJT-QWRGUYRKSA-O
XLogP0.77
TPSA88.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium
CID 8859258
(2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
CID 8859207
(2R)-N-carbamoyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
CID 8859233
[(2S)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl]-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium
CID 8859131
3-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 82076746
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
2-(methylamino)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 116961596
2-methyl-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 61220351
2-amino-N'-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetohydrazide
CID 116849328
(2S)-2-cyclopropyl-2-(dimethylamino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 97088681
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride
CID 117047620

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium?
The IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium (CID 8859206) is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium?
The canonical SMILES for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium is C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C(=O)NC(N)=O.
What is the InChIKey of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium?
The InChIKey is DEQRDYOVVWHOJT-QWRGUYRKSA-O. The full InChI is InChI=1S/C16H23N3O2/c1-10(18-11(2)15(20)19-16(17)21)13-8-7-12-5-3-4-6-14(12)9-13/h7-11,18H,3-6H2,1-2H3,(H3,17,19,20,21)/p+1/t10-,11-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium?
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium has a molecular weight of 290.39 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium is sourced from PubChem (CID 8859206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).